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

Systemtic Name: N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-[4-[2-(4-methoxyphenyl)ethanoyl]-1,4-diazepan-1-yl]phenyl]pyridine-3-carboxamide Openeye Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]phenyl]pyridine-3-carboxamide CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[2-(4-methoxyphenyl)-1-oxoethyl]-1,4-diazepan-1-yl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]phenyl]pyridine-3-carboxamide Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]phenyl]nicotinamide Formula: C33H40N6O4 MolecularWeight: 584.7085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CN=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CN=CC=C5

InChI

InChI=1S/C33H40N6O4/c1-43-28-12-5-23(6-13-28)20-31(40)39-17-3-16-38(18-19-39)30-14-7-24(32(41)36-27-10-8-26(34)9-11-27)21-29(30)37-33(42)25-4-2-15-35-22-25/h2,4-7,12-15,21-22,26-27H,3,8-11,16-20,34H2,1H3,(H,36,41)(H,37,42)