ethanol; (2-naphthalen-1-ylquinolin-4-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: ethanol; (2-naphthalen-1-ylquinolin-4-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[2-(1-naphthyl)-4-quinolyl]methanone; ethanol CAS Name: ethanol; [2-(1-naphthalenyl)-4-quinolinyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(2-naphthalen-1-ylquinolin-4-yl)methanone; ethanol Traditional Name: (4-benzylpiperazino)-[2-(1-naphthyl)-4-quinolyl]methanone; ethanol Formula: C33H33N3O2 MolecularWeight: 503.63402

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Descriptors Computed from Structure

Canonical SMILES:

CCO.C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

CCO.C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C31H27N3O.C2H6O/c35-31(34-19-17-33(18-20-34)22-23-9-2-1-3-10-23)28-21-30(32-29-16-7-6-14-27(28)29)26-15-8-12-24-11-4-5-13-25(24)26;1-2-3/h1-16,21H,17-20,22H2;3H,2H2,1H3