N-methoxy-N-methyl-3-(2-methylpropyl)-N'-[2-oxidanylidene-1-[(3-phenoxycyclohexa-2,4-dien-1-yl)methyl]azepan-3-yl]-2-propyl-butanediamide

Systemtic Name: N-methoxy-N-methyl-3-(2-methylpropyl)-N'-[2-oxidanylidene-1-[(3-phenoxycyclohexa-2,4-dien-1-yl)methyl]azepan-3-yl]-2-propyl-butanediamide Openeye Name: 3-isobutyl-N-methoxy-N-methyl-N'-[2-oxo-1-[(3-phenoxycyclohexa-2,4-dien-1-yl)methyl]azepan-3-yl]-2-propyl-butanediamide CAS Name: N-methoxy-N-methyl-3-(2-methylpropyl)-N'-[2-oxo-1-[(3-phenoxy-1-cyclohexa-2,4-dienyl)methyl]-3-azepanyl]-2-propylbutanediamide IUPAC Name: N-methoxy-N-methyl-3-(2-methylpropyl)-N'-[2-oxo-1-[(3-phenoxycyclohexa-2,4-dien-1-yl)methyl]azepan-3-yl]-2-propylbutanediamide Traditional Name: 2-isobutyl-N-[2-keto-1-[(3-phenoxycyclohexa-2,4-dien-1-yl)methyl]azepan-3-yl]-N'-methoxy-N'-methyl-3-propyl-succinamide Formula: C32H47N3O5 MolecularWeight: 553.73268

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(C)C)C(=O)NC1CCCCN(C1=O)CC2CC=CC(=C2)OC3=CC=CC=C3)C(=O)N(C)OC

Isomeric SMILES

CCCC(C(CC(C)C)C(=O)NC1CCCCN(C1=O)CC2CC=CC(=C2)OC3=CC=CC=C3)C(=O)N(C)OC

InChI

InChI=1S/C32H47N3O5/c1-6-13-27(31(37)34(4)39-5)28(20-23(2)3)30(36)33-29-18-10-11-19-35(32(29)38)22-24-14-12-17-26(21-24)40-25-15-8-7-9-16-25/h7-9,12,15-17,21,23-24,27-29H,6,10-11,13-14,18-20,22H2,1-5H3,(H,33,36)