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

Systemtic Name: N-[5-piperazin-1-ylcarbonyl-2-(4-pyridin-4-ylcarbonyl-1,4-diazepan-1-yl)phenyl]pyridine-4-carboxamide Openeye Name: N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]pyridine-4-carboxamide CAS Name: N-[5-[oxo(1-piperazinyl)methyl]-2-[4-[oxo(pyridin-4-yl)methyl]-1,4-diazepan-1-yl]phenyl]-4-pyridinecarboxamide IUPAC Name: N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]pyridine-4-carboxamide Traditional Name: N-[2-(4-isonicotinoyl-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=CC=NC=C2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC=NC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H31N7O3/c36-26(21-4-8-29-9-5-21)32-24-20-23(28(38)35-16-12-31-13-17-35)2-3-25(24)33-14-1-15-34(19-18-33)27(37)22-6-10-30-11-7-22/h2-11,20,31H,1,12-19H2,(H,32,36)