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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H26N4O3
Molecular Weight 406.4775
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Icalcaprant

SMILES

COC1=NN(C)C=C1[C@@H]2CCCN2CC3=CC=C(OC4=CC=C(C=C4)C(N)=O)C=C3

InChI

InChIKey=OBDLEFCGVHQDFR-NRFANRHFSA-N
InChI=1S/C23H26N4O3/c1-26-15-20(23(25-26)29-2)21-4-3-13-27(21)14-16-5-9-18(10-6-16)30-19-11-7-17(8-12-19)22(24)28/h5-12,15,21H,3-4,13-14H2,1-2H3,(H2,24,28)/t21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H26N4O3
Molecular Weight 406.4775
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
GNR4JZG668
Record Status Validated (UNII)
Record Version