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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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