2,8-dimethyl-6-(3-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine

Systemtic Name: 2,8-dimethyl-6-(3-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine Openeye Name: 2,8-dimethyl-6-(3-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine CAS Name: 2,8-dimethyl-6-(3-methyl-1-piperazinyl)benzo[b][1,4]benzoxazepine IUPAC Name: 2,8-dimethyl-6-(3-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine Traditional Name: 2,8-dimethyl-6-(3-methylpiperazino)benzo[b][1,4]benzoxazepine Formula: C20H23N3O MolecularWeight: 321.41612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=NC3=C(C=C(C=C3)C)OC4=C2C=C(C=C4)C

Isomeric SMILES

CC1CN(CCN1)C2=NC3=C(C=C(C=C3)C)OC4=C2C=C(C=C4)C

InChI

InChI=1S/C20H23N3O/c1-13-5-7-18-16(10-13)20(23-9-8-21-15(3)12-23)22-17-6-4-14(2)11-19(17)24-18/h4-7,10-11,15,21H,8-9,12H2,1-3H3