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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H30N4O2
Molecular Weight 466.5741
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DPI-201-106, (S)-

SMILES

O[C@H](COC1=CC=CC2=C1C=C(N2)C#N)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChIKey=BYBYHCOEAFHGJL-VWLOTQADSA-N
InChI=1S/C29H30N4O2/c30-19-24-18-26-27(31-24)12-7-13-28(26)35-21-25(34)20-32-14-16-33(17-15-32)29(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-13,18,25,29,31,34H,14-17,20-21H2/t25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H30N4O2
Molecular Weight 466.5741
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
IO61JQ0O8I
Record Status Validated (UNII)
Record Version