6-[(3S)-3-(2-methoxyethyl)piperazin-1-yl]-8-propan-2-yl-11H-benzo[b][1,4]benzodiazepine

Systemtic Name: 6-[(3S)-3-(2-methoxyethyl)piperazin-1-yl]-8-propan-2-yl-11H-benzo[b][1,4]benzodiazepine Openeye Name: 8-isopropyl-6-[(3S)-3-(2-methoxyethyl)piperazin-1-yl]-11H-benzo[b][1,4]benzodiazepine CAS Name: 6-[(3S)-3-(2-methoxyethyl)-1-piperazinyl]-8-propan-2-yl-11H-benzo[b][1,4]benzodiazepine IUPAC Name: 6-[(3S)-3-(2-methoxyethyl)piperazin-1-yl]-8-propan-2-yl-11H-benzo[b][1,4]benzodiazepine Traditional Name: 8-isopropyl-6-[(3S)-3-(2-methoxyethyl)piperazino]-11H-benzo[b][1,4]benzodiazepine Formula: C23H30N4O MolecularWeight: 378.5105

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)NC3=CC=CC=C3N=C2N4CCNC(C4)CCOC

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)NC3=CC=CC=C3N=C2N4CCN[C@H](C4)CCOC

InChI

InChI=1S/C23H30N4O/c1-16(2)17-8-9-20-19(14-17)23(26-22-7-5-4-6-21(22)25-20)27-12-11-24-18(15-27)10-13-28-3/h4-9,14,16,18,24-25H,10-13,15H2,1-3H3/t18-/m0/s1