(3R,4S)-N-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-4-(3-pyridin-4-ylphenyl)piperidine-3-carboxamide

Systemtic Name: (3R,4S)-N-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-4-(3-pyridin-4-ylphenyl)piperidine-3-carboxamide Openeye Name: (3R,4S)-N-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-4-[3-(4-pyridyl)phenyl]piperidine-3-carboxamide CAS Name: (3R,4S)-N-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-4-(3-pyridin-4-ylphenyl)-3-piperidinecarboxamide IUPAC Name: (3R,4S)-N-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-4-(3-pyridin-4-ylphenyl)piperidine-3-carboxamide Traditional Name: (3R,4S)-N-cyclopropyl-N-(2,3-dimethylbenzyl)-4-[3-(4-pyridyl)phenyl]nipecotamide Formula: C29H33N3O MolecularWeight: 439.59182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CN(C2CC2)C(=O)C3CNCCC3C4=CC=CC(=C4)C5=CC=NC=C5)C

Isomeric SMILES

CC1=C(C(=CC=C1)CN(C2CC2)C(=O)[C@H]3CNCC[C@@H]3C4=CC=CC(=C4)C5=CC=NC=C5)C

InChI

InChI=1S/C29H33N3O/c1-20-5-3-8-25(21(20)2)19-32(26-9-10-26)29(33)28-18-31-16-13-27(28)24-7-4-6-23(17-24)22-11-14-30-15-12-22/h3-8,11-12,14-15,17,26-28,31H,9-10,13,16,18-19H2,1-2H3/t27-,28+/m1/s1