2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-1H-quinazolin-4-one

Systemtic Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-1H-quinazolin-4-one Openeye Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxo-propyl]-1H-quinazolin-4-one CAS Name: 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]-3-oxopropyl]-1H-quinazolin-4-one IUPAC Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinazolin-4-one Traditional Name: 2-[3-[4-(3-chlorophenyl)piperazino]-3-keto-propyl]-1H-quinazolin-4-one Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H21ClN4O2/c22-15-4-3-5-16(14-15)25-10-12-26(13-11-25)20(27)9-8-19-23-18-7-2-1-6-17(18)21(28)24-19/h1-7,14H,8-13H2,(H,23,24,28)