3-(2-methylpropyl)-N'-[2-oxidanylidene-1-[(5-phenylpyridin-3-yl)methyl]azepan-3-yl]-2-propyl-butanediamide

Systemtic Name: 3-(2-methylpropyl)-N'-[2-oxidanylidene-1-[(5-phenylpyridin-3-yl)methyl]azepan-3-yl]-2-propyl-butanediamide Openeye Name: 3-isobutyl-N'-[2-oxo-1-[(5-phenyl-3-pyridyl)methyl]azepan-3-yl]-2-propyl-butanediamide CAS Name: 3-(2-methylpropyl)-N'-[2-oxo-1-[(5-phenyl-3-pyridinyl)methyl]-3-azepanyl]-2-propylbutanediamide IUPAC Name: 3-(2-methylpropyl)-N'-[2-oxo-1-[(5-phenylpyridin-3-yl)methyl]azepan-3-yl]-2-propylbutanediamide Traditional Name: 3-isobutyl-N'-[2-keto-1-[(5-phenyl-3-pyridyl)methyl]azepan-3-yl]-2-propyl-succinamide Formula: C29H40N4O3 MolecularWeight: 492.6529

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(C)C)C(=O)NC1CCCCN(C1=O)CC2=CN=CC(=C2)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CCCC(C(CC(C)C)C(=O)NC1CCCCN(C1=O)CC2=CN=CC(=C2)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C29H40N4O3/c1-4-10-24(27(30)34)25(15-20(2)3)28(35)32-26-13-8-9-14-33(29(26)36)19-21-16-23(18-31-17-21)22-11-6-5-7-12-22/h5-7,11-12,16-18,20,24-26H,4,8-10,13-15,19H2,1-3H3,(H2,30,34)(H,32,35)