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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CN=CC=C2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CN=CC=C2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC=NC=C5

InChI

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