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

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

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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)CC5=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)CC5=CC=CC=C5

InChI

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