N-[(3R,4S)-4-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrrolidin-3-yl]pyridine-3-carboxamide

Systemtic Name: N-[(3R,4S)-4-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrrolidin-3-yl]pyridine-3-carboxamide Openeye Name: N-[(3R,4S)-1-benzyl-4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]pyridine-3-carboxamide CAS Name: N-[(3R,4S)-4-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-3-pyrrolidinyl]-3-pyridinecarboxamide IUPAC Name: N-[(3R,4S)-1-benzyl-4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]pyridine-3-carboxamide Traditional Name: N-[(3R,4S)-1-benzyl-4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]nicotinamide Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CN(CC2NC(=O)C3=CN=CC=C3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2CN(C[C@@H]2NC(=O)C3=CN=CC=C3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C25H27N3O3/c1-30-23-11-10-19(13-24(23)31-2)21-16-28(15-18-7-4-3-5-8-18)17-22(21)27-25(29)20-9-6-12-26-14-20/h3-14,21-22H,15-17H2,1-2H3,(H,27,29)/t21-,22+/m1/s1