N5-(cyclohexylmethyl)-1-cyclopropyl-4-oxidanylidene-N3-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]pyridine-3,5-dicarboxamide

Systemtic Name: N5-(cyclohexylmethyl)-1-cyclopropyl-4-oxidanylidene-N3-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]pyridine-3,5-dicarboxamide Openeye Name: N3-[(3S)-1-benzylpyrrolidin-3-yl]-N5-(cyclohexylmethyl)-1-cyclopropyl-4-oxo-pyridine-3,5-dicarboxamide CAS Name: N5-(cyclohexylmethyl)-1-cyclopropyl-4-oxo-N3-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]pyridine-3,5-dicarboxamide IUPAC Name: 3-N-[(3S)-1-benzylpyrrolidin-3-yl]-5-N-(cyclohexylmethyl)-1-cyclopropyl-4-oxopyridine-3,5-dicarboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-N'-(cyclohexylmethyl)-1-cyclopropyl-4-keto-dinicotinamide Formula: C28H36N4O3 MolecularWeight: 476.61044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)C2=CN(C=C(C2=O)C(=O)NC3CCN(C3)CC4=CC=CC=C4)C5CC5

Isomeric SMILES

C1CCC(CC1)CNC(=O)C2=CN(C=C(C2=O)C(=O)N[C@H]3CCN(C3)CC4=CC=CC=C4)C5CC5

InChI

InChI=1S/C28H36N4O3/c33-26-24(27(34)29-15-20-7-3-1-4-8-20)18-32(23-11-12-23)19-25(26)28(35)30-22-13-14-31(17-22)16-21-9-5-2-6-10-21/h2,5-6,9-10,18-20,22-23H,1,3-4,7-8,11-17H2,(H,29,34)(H,30,35)/t22-/m0/s1