N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)phenyl]pyridine-3-carboxamide

Systemtic Name: N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)phenyl]pyridine-3-carboxamide Openeye Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]phenyl]pyridine-3-carboxamide CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]phenyl]pyridine-3-carboxamide Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]phenyl]nicotinamide Formula: C28H36N6O3 MolecularWeight: 504.62384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CN=CC=C5

InChI

InChI=1S/C28H36N6O3/c29-22-7-9-23(10-8-22)31-26(35)20-6-11-25(24(17-20)32-27(36)21-3-1-12-30-18-21)33-13-2-14-34(16-15-33)28(37)19-4-5-19/h1,3,6,11-12,17-19,22-23H,2,4-5,7-10,13-16,29H2,(H,31,35)(H,32,36)