N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)phenyl]-2-phenyl-ethanamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)phenyl]-2-phenyl-ethanamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]phenyl]-2-phenyl-acetamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[oxo(3-pyridinyl)methyl]-1,4-diazepan-1-yl]phenyl]-2-phenylacetamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]phenyl]-2-phenylacetamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-(4-nicotinoyl-1,4-diazepan-1-yl)phenyl]-2-phenyl-acetamide Formula: C31H36N6O3 MolecularWeight: 540.65594

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCCN(CC3)C(=O)C4=CN=CC=C4)NC(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCCN(CC3)C(=O)C4=CN=CC=C4)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C31H36N6O3/c38-29(21-24-7-2-1-3-8-24)34-27-22-25(30(39)36-15-5-13-32-14-18-36)10-11-28(27)35-16-6-17-37(20-19-35)31(40)26-9-4-12-33-23-26/h1-4,7-12,22-23,32H,5-6,13-21H2,(H,34,38)