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Details

Stereochemistry RACEMIC
Molecular Formula C26H25ClN2O3
Molecular Weight 448.941
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-4-methylbenzamide

SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C(=O)N3CCCC(O)C4=CC(Cl)=CC=C34)C(C)=C2

InChI

InChIKey=PWQWEZJKGBEJJY-UHFFFAOYSA-N
InChI=1S/C26H25ClN2O3/c1-16-5-7-18(8-6-16)25(31)28-20-10-11-21(17(2)14-20)26(32)29-13-3-4-24(30)22-15-19(27)9-12-23(22)29/h5-12,14-15,24,30H,3-4,13H2,1-2H3,(H,28,31)

HIDE SMILES / InChI

Molecular Formula C26H25ClN2O3
Molecular Weight 448.941
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
UU9M9HKZ6Y
Record Status Validated (UNII)
Record Version