8-chloranyl-3-[4-(phenylmethyl)piperazin-1-yl]-1H-1-benzazepine-2,5-dione

Systemtic Name: 8-chloranyl-3-[4-(phenylmethyl)piperazin-1-yl]-1H-1-benzazepine-2,5-dione Openeye Name: 3-(4-benzylpiperazin-1-yl)-8-chloro-1H-1-benzazepine-2,5-dione CAS Name: 8-chloro-3-[4-(phenylmethyl)-1-piperazinyl]-1H-1-benzazepine-2,5-dione IUPAC Name: 3-(4-benzylpiperazin-1-yl)-8-chloro-1H-1-benzazepine-2,5-dione Traditional Name: 3-(4-benzylpiperazino)-8-chloro-1H-1-benzazepine-2,5-quinone Formula: C21H20ClN3O2 MolecularWeight: 381.8554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC(=O)C4=C(C=C(C=C4)Cl)NC3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC(=O)C4=C(C=C(C=C4)Cl)NC3=O

InChI

InChI=1S/C21H20ClN3O2/c22-16-6-7-17-18(12-16)23-21(27)19(13-20(17)26)25-10-8-24(9-11-25)14-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2,(H,23,27)