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

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

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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=CC=CC=C5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=NC=C4)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)34-15-4-11-30-14-16-34)7-8-26(25)33-17-19-35(20-18-33)28(37)23-9-12-31-13-10-23/h1-3,5-10,12-13,21,30H,4,11,14-20H2,(H,32,36)