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

Systemtic Name: N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-cyclobutylcarbonyl-1,4-diazepan-1-yl)phenyl]pyridine-3-carboxamide Openeye Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]phenyl]pyridine-3-carboxamide CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[cyclobutyl(oxo)methyl]-1,4-diazepan-1-yl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]phenyl]pyridine-3-carboxamide Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]phenyl]nicotinamide Formula: C29H38N6O3 MolecularWeight: 518.65042

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CN=CC=C5

Isomeric SMILES

C1CC(C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CN=CC=C5

InChI

InChI=1S/C29H38N6O3/c30-23-8-10-24(11-9-23)32-27(36)21-7-12-26(25(18-21)33-28(37)22-6-2-13-31-19-22)34-14-3-15-35(17-16-34)29(38)20-4-1-5-20/h2,6-7,12-13,18-20,23-24H,1,3-5,8-11,14-17,30H2,(H,32,36)(H,33,37)