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

Systemtic Name: (3,5-dimethylphenyl)-[4-(1H-indol-3-ylmethylamino)-2-(phenylmethyl)piperidin-1-yl]methanone Openeye Name: [2-benzyl-4-(1H-indol-3-ylmethylamino)-1-piperidyl]-(3,5-dimethylphenyl)methanone CAS Name: (3,5-dimethylphenyl)-[4-(1H-indol-3-ylmethylamino)-2-(phenylmethyl)-1-piperidinyl]methanone IUPAC Name: [2-benzyl-4-(1H-indol-3-ylmethylamino)piperidin-1-yl]-(3,5-dimethylphenyl)methanone Traditional Name: [2-benzyl-4-(1H-indol-3-ylmethylamino)piperidino]-(3,5-dimethylphenyl)methanone Formula: C30H33N3O MolecularWeight: 451.60252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCC(CC2CC3=CC=CC=C3)NCC4=CNC5=CC=CC=C54)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCC(CC2CC3=CC=CC=C3)NCC4=CNC5=CC=CC=C54)C

InChI

InChI=1S/C30H33N3O/c1-21-14-22(2)16-24(15-21)30(34)33-13-12-26(18-27(33)17-23-8-4-3-5-9-23)31-19-25-20-32-29-11-7-6-10-28(25)29/h3-11,14-16,20,26-27,31-32H,12-13,17-19H2,1-2H3