9-methyl-6-[(3S)-4-methyl-3-phenethyl-piperazin-1-yl]-11H-benzo[b][1,4]benzodiazepine

Systemtic Name: 9-methyl-6-[(3S)-4-methyl-3-phenethyl-piperazin-1-yl]-11H-benzo[b][1,4]benzodiazepine Openeye Name: 9-methyl-6-[(3S)-4-methyl-3-phenethyl-piperazin-1-yl]-11H-benzo[b][1,4]benzodiazepine CAS Name: 9-methyl-6-[(3S)-4-methyl-3-phenethyl-1-piperazinyl]-11H-benzo[b][1,4]benzodiazepine IUPAC Name: 9-methyl-6-[(3S)-4-methyl-3-phenethylpiperazin-1-yl]-11H-benzo[b][1,4]benzodiazepine Traditional Name: 9-methyl-6-[(3S)-4-methyl-3-phenethyl-piperazino]-11H-benzo[b][1,4]benzodiazepine Formula: C27H30N4 MolecularWeight: 410.5539

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC3=CC=CC=C3N2)N4CCN(C(C4)CCC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC3=CC=CC=C3N2)N4CCN([C@H](C4)CCC5=CC=CC=C5)C

InChI

InChI=1S/C27H30N4/c1-20-12-15-23-26(18-20)28-24-10-6-7-11-25(24)29-27(23)31-17-16-30(2)22(19-31)14-13-21-8-4-3-5-9-21/h3-12,15,18,22,28H,13-14,16-17,19H2,1-2H3/t22-/m0/s1