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

Systemtic Name: N-methanoyl-N-methyl-3-(2-methylpropyl)-N'-[2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]-2-propyl-butanediamide Openeye Name: N-formyl-3-isobutyl-N-methyl-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]-2-propyl-butanediamide CAS Name: N-formyl-N-methyl-3-(2-methylpropyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]-3-azepanyl]-2-propylbutanediamide IUPAC Name: N-formyl-N-methyl-3-(2-methylpropyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]-2-propylbutanediamide Traditional Name: N-formyl-3-isobutyl-N'-[2-keto-1-(3-phenoxybenzyl)azepan-3-yl]-N-methyl-2-propyl-succinamide Formula: C32H43N3O5 MolecularWeight: 549.70092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H43N3O5/c1-5-12-27(31(38)34(4)22-36)28(19-23(2)3)30(37)33-29-17-9-10-18-35(32(29)39)21-24-13-11-16-26(20-24)40-25-14-7-6-8-15-25/h6-8,11,13-16,20,22-23,27-29H,5,9-10,12,17-19,21H2,1-4H3,(H,33,37)