4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione

Systemtic Name: 4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione CAS Name: 4-[4-[4-(3-chlorophenyl)-1-piperazinyl]butyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 4-[4-[4-(3-chlorophenyl)piperazino]butyl]-1,4-benzoxazepine-3,5-quinone Formula: C23H26ClN3O3 MolecularWeight: 427.92384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)COC3=CC=CC=C3C2=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)COC3=CC=CC=C3C2=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H26ClN3O3/c24-18-6-5-7-19(16-18)26-14-12-25(13-15-26)10-3-4-11-27-22(28)17-30-21-9-2-1-8-20(21)23(27)29/h1-2,5-9,16H,3-4,10-15,17H2