N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-pyridin-4-ylcarbonylpiperazin-1-yl)phenyl]pyridine-3-carboxamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-pyridin-4-ylcarbonylpiperazin-1-yl)phenyl]pyridine-3-carboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-(4-isonicotinoylpiperazino)phenyl]nicotinamide Formula: C28H31N7O3 MolecularWeight: 513.59084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=NC=C4)NC(=O)C5=CN=CC=C5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=NC=C4)NC(=O)C5=CN=CC=C5

InChI

InChI=1S/C28H31N7O3/c36-26(23-3-1-8-31-20-23)32-24-19-22(28(38)34-13-2-9-29-12-14-34)4-5-25(24)33-15-17-35(18-16-33)27(37)21-6-10-30-11-7-21/h1,3-8,10-11,19-20,29H,2,9,12-18H2,(H,32,36)