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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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