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

Systemtic Name: 6-[(3S)-3-(2-methoxyethyl)piperazin-1-yl]-8-methyl-11H-benzo[b][1,4]benzodiazepine Openeye Name: 6-[(3S)-3-(2-methoxyethyl)piperazin-1-yl]-8-methyl-11H-benzo[b][1,4]benzodiazepine CAS Name: 6-[(3S)-3-(2-methoxyethyl)-1-piperazinyl]-8-methyl-11H-benzo[b][1,4]benzodiazepine IUPAC Name: 6-[(3S)-3-(2-methoxyethyl)piperazin-1-yl]-8-methyl-11H-benzo[b][1,4]benzodiazepine Traditional Name: 6-[(3S)-3-(2-methoxyethyl)piperazino]-8-methyl-11H-benzo[b][1,4]benzodiazepine Formula: C21H26N4O MolecularWeight: 350.45734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=CC=CC=C3N=C2N4CCNC(C4)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O/c1-15-7-8-18-17(13-15)21(24-20-6-4-3-5-19(20)23-18)25-11-10-22-16(14-25)9-12-26-2/h3-8,13,16,22-23H,9-12,14H2,1-2H3/t16-/m0/s1