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

Systemtic Name: 6-[(3S)-3-(2-methoxyethyl)-4-methyl-piperazin-1-yl]-8-methyl-11H-benzo[b][1,4]benzodiazepine Openeye Name: 6-[(3S)-3-(2-methoxyethyl)-4-methyl-piperazin-1-yl]-8-methyl-11H-benzo[b][1,4]benzodiazepine CAS Name: 6-[(3S)-3-(2-methoxyethyl)-4-methyl-1-piperazinyl]-8-methyl-11H-benzo[b][1,4]benzodiazepine IUPAC Name: 6-[(3S)-3-(2-methoxyethyl)-4-methylpiperazin-1-yl]-8-methyl-11H-benzo[b][1,4]benzodiazepine Traditional Name: 6-[(3S)-3-(2-methoxyethyl)-4-methyl-piperazino]-8-methyl-11H-benzo[b][1,4]benzodiazepine Formula: C22H28N4O MolecularWeight: 364.48392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=CC=CC=C3N=C2N4CCN(C(C4)CCOC)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=CC=CC=C3N=C2N4CCN([C@H](C4)CCOC)C

InChI

InChI=1S/C22H28N4O/c1-16-8-9-19-18(14-16)22(24-21-7-5-4-6-20(21)23-19)26-12-11-25(2)17(15-26)10-13-27-3/h4-9,14,17,23H,10-13,15H2,1-3H3/t17-/m0/s1