[4-(phenylmethyl)piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone hydrochloride

Systemtic Name: [4-(phenylmethyl)piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone hydrochloride Openeye Name: (4-benzylpiperazin-1-yl)-(2-phenyl-4-quinolyl)methanone hydrochloride CAS Name: [4-(phenylmethyl)-1-piperazinyl]-(2-phenyl-4-quinolinyl)methanone hydrochloride IUPAC Name: (4-benzylpiperazin-1-yl)-(2-phenylquinolin-4-yl)methanone hydrochloride Traditional Name: (4-benzylpiperazino)-(2-phenyl-4-quinolyl)methanone hydrochloride Formula: C27H26ClN3O MolecularWeight: 443.96784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5.Cl

InChI

InChI=1S/C27H25N3O.ClH/c31-27(30-17-15-29(16-18-30)20-21-9-3-1-4-10-21)24-19-26(22-11-5-2-6-12-22)28-25-14-8-7-13-23(24)25;/h1-14,19H,15-18,20H2;1H