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

Systemtic Name: 2-butyl-3-(cyclobutylmethyl)-N'-[2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]butanediamide Openeye Name: 2-butyl-3-(cyclobutylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]butanediamide CAS Name: 2-butyl-3-(cyclobutylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]-3-azepanyl]butanediamide IUPAC Name: 2-butyl-3-(cyclobutylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]butanediamide Traditional Name: 2-butyl-3-(cyclobutylmethyl)-N'-[2-keto-1-(3-phenoxybenzyl)azepan-3-yl]succinamide Formula: C32H43N3O4 MolecularWeight: 533.70152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC1CCC1)C(=O)NC2CCCCN(C2=O)CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)N

Isomeric SMILES

CCCCC(C(CC1CCC1)C(=O)NC2CCCCN(C2=O)CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C32H43N3O4/c1-2-3-17-27(30(33)36)28(21-23-11-9-12-23)31(37)34-29-18-7-8-19-35(32(29)38)22-24-13-10-16-26(20-24)39-25-14-5-4-6-15-25/h4-6,10,13-16,20,23,27-29H,2-3,7-9,11-12,17-19,21-22H2,1H3,(H2,33,36)(H,34,37)