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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-pyridin-4-ylcarbonylpiperazin-1-yl)phenyl]-2-phenyl-ethanamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]phenyl]-2-phenyl-acetamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]phenyl]-2-phenylacetamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]phenyl]-2-phenylacetamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-(4-isonicotinoylpiperazino)phenyl]-2-phenyl-acetamide Formula: C30H34N6O3 MolecularWeight: 526.62936

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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)CC5=CC=CC=C5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=NC=C4)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C30H34N6O3/c37-28(21-23-5-2-1-3-6-23)33-26-22-25(30(39)35-15-4-11-31-14-16-35)7-8-27(26)34-17-19-36(20-18-34)29(38)24-9-12-32-13-10-24/h1-3,5-10,12-13,22,31H,4,11,14-21H2,(H,33,37)