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

Systemtic Name: 6-[(3S)-3-(3-methoxypropyl)piperazin-1-yl]-8-propan-2-yl-11H-benzo[b][1,4]benzodiazepine Openeye Name: 8-isopropyl-6-[(3S)-3-(3-methoxypropyl)piperazin-1-yl]-11H-benzo[b][1,4]benzodiazepine CAS Name: 6-[(3S)-3-(3-methoxypropyl)-1-piperazinyl]-8-propan-2-yl-11H-benzo[b][1,4]benzodiazepine IUPAC Name: 6-[(3S)-3-(3-methoxypropyl)piperazin-1-yl]-8-propan-2-yl-11H-benzo[b][1,4]benzodiazepine Traditional Name: 8-isopropyl-6-[(3S)-3-(3-methoxypropyl)piperazino]-11H-benzo[b][1,4]benzodiazepine Formula: C24H32N4O MolecularWeight: 392.53708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O/c1-17(2)18-10-11-21-20(15-18)24(27-23-9-5-4-8-22(23)26-21)28-13-12-25-19(16-28)7-6-14-29-3/h4-5,8-11,15,17,19,25-26H,6-7,12-14,16H2,1-3H3/t19-/m0/s1