N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-(2-methyl-1-oxidanylidene-isoquinolin-3-yl)butanamide

Systemtic Name: N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-(2-methyl-1-oxidanylidene-isoquinolin-3-yl)butanamide Openeye Name: N-[1-[(3,4-dichlorophenyl)methyl]-4-piperidyl]-4-(2-methyl-1-oxo-3-isoquinolyl)butanamide CAS Name: N-[1-[(3,4-dichlorophenyl)methyl]-4-piperidinyl]-4-(2-methyl-1-oxo-3-isoquinolinyl)butanamide IUPAC Name: N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-(2-methyl-1-oxoisoquinolin-3-yl)butanamide Traditional Name: N-[1-(3,4-dichlorobenzyl)-4-piperidyl]-4-(1-keto-2-methyl-3-isoquinolyl)butyramide Formula: C26H29Cl2N3O2 MolecularWeight: 486.43336

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=CC=CC=C2C1=O)CCCC(=O)NC3CCN(CC3)CC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CN1C(=CC2=CC=CC=C2C1=O)CCCC(=O)NC3CCN(CC3)CC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C26H29Cl2N3O2/c1-30-21(16-19-5-2-3-7-22(19)26(30)33)6-4-8-25(32)29-20-11-13-31(14-12-20)17-18-9-10-23(27)24(28)15-18/h2-3,5,7,9-10,15-16,20H,4,6,8,11-14,17H2,1H3,(H,29,32)