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

Systemtic Name: 3-(2-methylpropyl)-N'-[2-oxidanylidene-1-[(3-phenoxycyclohexa-2,4-dien-1-yl)methyl]azepan-3-yl]-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-3-isobutyl-N'-[2-oxo-1-[(3-phenoxycyclohexa-2,4-dien-1-yl)methyl]azepan-3-yl]butanediamide CAS Name: 3-(2-methylpropyl)-N'-[2-oxo-1-[(3-phenoxy-1-cyclohexa-2,4-dienyl)methyl]-3-azepanyl]-2-prop-2-enylbutanediamide IUPAC Name: 3-(2-methylpropyl)-N'-[2-oxo-1-[(3-phenoxycyclohexa-2,4-dien-1-yl)methyl]azepan-3-yl]-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-3-isobutyl-N'-[2-keto-1-[(3-phenoxycyclohexa-2,4-dien-1-yl)methyl]azepan-3-yl]succinamide Formula: C30H41N3O4 MolecularWeight: 507.66424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H41N3O4/c1-4-11-25(28(31)34)26(18-21(2)3)29(35)32-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)37-23-13-6-5-7-14-23/h4-7,10,13-15,19,21-22,25-27H,1,8-9,11-12,16-18,20H2,2-3H3,(H2,31,34)(H,32,35)