(3,5-dimethylphenyl)-[2-(phenylmethyl)-4-(quinolin-2-ylmethylamino)piperidin-1-yl]methanone

Systemtic Name: (3,5-dimethylphenyl)-[2-(phenylmethyl)-4-(quinolin-2-ylmethylamino)piperidin-1-yl]methanone Openeye Name: [2-benzyl-4-(2-quinolylmethylamino)-1-piperidyl]-(3,5-dimethylphenyl)methanone CAS Name: (3,5-dimethylphenyl)-[2-(phenylmethyl)-4-(2-quinolinylmethylamino)-1-piperidinyl]methanone IUPAC Name: [2-benzyl-4-(quinolin-2-ylmethylamino)piperidin-1-yl]-(3,5-dimethylphenyl)methanone Traditional Name: [2-benzyl-4-(2-quinolylmethylamino)piperidino]-(3,5-dimethylphenyl)methanone Formula: C31H33N3O MolecularWeight: 463.61322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCC(CC2CC3=CC=CC=C3)NCC4=NC5=CC=CC=C5C=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCC(CC2CC3=CC=CC=C3)NCC4=NC5=CC=CC=C5C=C4)C

InChI

InChI=1S/C31H33N3O/c1-22-16-23(2)18-26(17-22)31(35)34-15-14-27(20-29(34)19-24-8-4-3-5-9-24)32-21-28-13-12-25-10-6-7-11-30(25)33-28/h3-13,16-18,27,29,32H,14-15,19-21H2,1-2H3