N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-[4-(2-phenylethanoyl)piperazin-1-yl]phenyl]pyridine-4-carboxamide

Systemtic Name: N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-[4-(2-phenylethanoyl)piperazin-1-yl]phenyl]pyridine-4-carboxamide Openeye Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]pyridine-4-carboxamide CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]phenyl]-4-pyridinecarboxamide IUPAC Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]pyridine-4-carboxamide Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(2-phenylacetyl)piperazino]phenyl]isonicotinamide Formula: C31H36N6O3 MolecularWeight: 540.65594

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC4=CC=CC=C4)NC(=O)C5=CC=NC=C5

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC4=CC=CC=C4)NC(=O)C5=CC=NC=C5

InChI

InChI=1S/C31H36N6O3/c32-25-7-9-26(10-8-25)34-31(40)24-6-11-28(27(21-24)35-30(39)23-12-14-33-15-13-23)36-16-18-37(19-17-36)29(38)20-22-4-2-1-3-5-22/h1-6,11-15,21,25-26H,7-10,16-20,32H2,(H,34,40)(H,35,39)