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

Systemtic Name: N-[5-piperazin-1-ylcarbonyl-2-(4-pyridin-4-ylcarbonyl-1,4-diazepan-1-yl)phenyl]benzamide Openeye Name: N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]benzamide CAS Name: N-[5-[oxo(1-piperazinyl)methyl]-2-[4-[oxo(pyridin-4-yl)methyl]-1,4-diazepan-1-yl]phenyl]benzamide IUPAC Name: N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]benzamide Traditional Name: N-[2-(4-isonicotinoyl-1,4-diazepan-1-yl)-5-(piperazine-1-carbonyl)phenyl]benzamide Formula: C29H32N6O3 MolecularWeight: 512.60278

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=CC=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=CC=C5

InChI

InChI=1S/C29H32N6O3/c36-27(22-5-2-1-3-6-22)32-25-21-24(29(38)35-17-13-31-14-18-35)7-8-26(25)33-15-4-16-34(20-19-33)28(37)23-9-11-30-12-10-23/h1-3,5-12,21,31H,4,13-20H2,(H,32,36)