3-(2-methylpropyl)-N-oxidanyl-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-oxidanyl-N'-[2-oxidanylidene-1-[(3-phenoxycyclohexa-2,4-dien-1-yl)methyl]azepan-3-yl]-2-prop-2-enyl-butanediamide Openeye Name: 3-(hydroxycarbamoyl)-2-isobutyl-N-[2-oxo-1-[(3-phenoxycyclohexa-2,4-dien-1-yl)methyl]azepan-3-yl]hex-5-enamide CAS Name: N-hydroxy-3-(2-methylpropyl)-N'-[2-oxo-1-[(3-phenoxy-1-cyclohexa-2,4-dienyl)methyl]-3-azepanyl]-2-prop-2-enylbutanediamide IUPAC Name: N-hydroxy-3-(2-methylpropyl)-N'-[2-oxo-1-[(3-phenoxycyclohexa-2,4-dien-1-yl)methyl]azepan-3-yl]-2-prop-2-enylbutanediamide Traditional Name: 3-(hydroxycarbamoyl)-2-isobutyl-N-[2-keto-1-[(3-phenoxycyclohexa-2,4-dien-1-yl)methyl]azepan-3-yl]hex-5-enamide Formula: C30H41N3O5 MolecularWeight: 523.66364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC=C)C(=O)NO)C(=O)NC1CCCCN(C1=O)CC2CC=CC(=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(CC=C)C(=O)NO)C(=O)NC1CCCCN(C1=O)CC2CC=CC(=C2)OC3=CC=CC=C3

InChI

InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h4-7,10,13-15,19,21-22,25-27,37H,1,8-9,11-12,16-18,20H2,2-3H3,(H,31,34)(H,32,35)