7-chloranyl-5-phenyl-1-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,4-benzodiazepin-2-one hydrochloride

Systemtic Name: 7-chloranyl-5-phenyl-1-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,4-benzodiazepin-2-one hydrochloride Openeye Name: 7-chloro-5-phenyl-1-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,4-benzodiazepin-2-one hydrochloride CAS Name: 7-chloro-5-phenyl-1-[3-(4-phenyl-1-piperazinyl)propyl]-3H-1,4-benzodiazepin-2-one hydrochloride IUPAC Name: 7-chloro-5-phenyl-1-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,4-benzodiazepin-2-one hydrochloride Traditional Name: 7-chloro-5-phenyl-1-[3-(4-phenylpiperazino)propyl]-3H-1,4-benzodiazepin-2-one hydrochloride Formula: C28H30Cl2N4O MolecularWeight: 509.47

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4)C5=CC=CC=C5.Cl

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4)C5=CC=CC=C5.Cl

InChI

InChI=1S/C28H29ClN4O.ClH/c29-23-12-13-26-25(20-23)28(22-8-3-1-4-9-22)30-21-27(34)33(26)15-7-14-31-16-18-32(19-17-31)24-10-5-2-6-11-24;/h1-6,8-13,20H,7,14-19,21H2;1H