benzoic acid; N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

Systemtic Name: benzoic acid; N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide Openeye Name: benzoic acid; N-[4-(1-cyanocyclopentyl)phenyl]-2-(4-pyridylmethylamino)pyridine-3-carboxamide CAS Name: benzoic acid; N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)-3-pyridinecarboxamide IUPAC Name: benzoic acid; N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide Traditional Name: benzoic acid; N-[4-(1-cyanocyclopentyl)phenyl]-2-(4-pyridylmethylamino)nicotinamide Formula: C31H29N5O3 MolecularWeight: 519.59366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

C1CCC(C1)(C#N)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C24H23N5O.C7H6O2/c25-17-24(11-1-2-12-24)19-5-7-20(8-6-19)29-23(30)21-4-3-13-27-22(21)28-16-18-9-14-26-15-10-18;8-7(9)6-4-2-1-3-5-6/h3-10,13-15H,1-2,11-12,16H2,(H,27,28)(H,29,30);1-5H,(H,8,9)