3-butan-2-yl-N'-[2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]-2-propyl-butanediamide

Systemtic Name: 3-butan-2-yl-N'-[2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]-2-propyl-butanediamide Openeye Name: N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]-2-propyl-3-sec-butyl-butanediamide CAS Name: 3-butan-2-yl-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]-3-azepanyl]-2-propylbutanediamide IUPAC Name: 3-butan-2-yl-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]-2-propylbutanediamide Traditional Name: N'-[2-keto-1-(3-phenoxybenzyl)azepan-3-yl]-2-propyl-3-sec-butyl-succinamide Formula: C30H41N3O4 MolecularWeight: 507.66424

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(C)CC)C(=O)NC1CCCCN(C1=O)CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CCCC(C(C(C)CC)C(=O)NC1CCCCN(C1=O)CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C30H41N3O4/c1-4-12-25(28(31)34)27(21(3)5-2)29(35)32-26-17-9-10-18-33(30(26)36)20-22-13-11-16-24(19-22)37-23-14-7-6-8-15-23/h6-8,11,13-16,19,21,25-27H,4-5,9-10,12,17-18,20H2,1-3H3,(H2,31,34)(H,32,35)