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

Systemtic Name: 6-[(3S)-3-(3-methoxypropyl)-4-methyl-piperazin-1-yl]-8-propan-2-yl-11H-benzo[b][1,4]benzodiazepine Openeye Name: 8-isopropyl-6-[(3S)-3-(3-methoxypropyl)-4-methyl-piperazin-1-yl]-11H-benzo[b][1,4]benzodiazepine CAS Name: 6-[(3S)-3-(3-methoxypropyl)-4-methyl-1-piperazinyl]-8-propan-2-yl-11H-benzo[b][1,4]benzodiazepine IUPAC Name: 6-[(3S)-3-(3-methoxypropyl)-4-methylpiperazin-1-yl]-8-propan-2-yl-11H-benzo[b][1,4]benzodiazepine Traditional Name: 8-isopropyl-6-[(3S)-3-(3-methoxypropyl)-4-methyl-piperazino]-11H-benzo[b][1,4]benzodiazepine Formula: C25H34N4O MolecularWeight: 406.56366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)NC3=CC=CC=C3N=C2N4CCN(C(C4)CCCOC)C

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O/c1-18(2)19-11-12-22-21(16-19)25(27-24-10-6-5-9-23(24)26-22)29-14-13-28(3)20(17-29)8-7-15-30-4/h5-6,9-12,16,18,20,26H,7-8,13-15,17H2,1-4H3/t20-/m0/s1