N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-[4-(2-phenylethanoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide

Systemtic Name: N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-[4-(2-phenylethanoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide Openeye Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(2-phenylacetyl)piperazino]phenyl]nicotinamide 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=CN=CC=C5

Isomeric SMILES

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

InChI

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