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

Systemtic Name: 2-(2-methylpropyl)-N-[2-oxidanylidene-1-[(3-phenoxycyclohexa-2,4-dien-1-yl)methyl]azepan-3-yl]butanediamide Openeye Name: 2-isobutyl-N-[2-oxo-1-[(3-phenoxycyclohexa-2,4-dien-1-yl)methyl]azepan-3-yl]butanediamide CAS Name: 2-(2-methylpropyl)-N-[2-oxo-1-[(3-phenoxy-1-cyclohexa-2,4-dienyl)methyl]-3-azepanyl]butanediamide IUPAC Name: 2-(2-methylpropyl)-N-[2-oxo-1-[(3-phenoxycyclohexa-2,4-dien-1-yl)methyl]azepan-3-yl]butanediamide Traditional Name: 2-isobutyl-N-[2-keto-1-[(3-phenoxycyclohexa-2,4-dien-1-yl)methyl]azepan-3-yl]succinamide Formula: C27H37N3O4 MolecularWeight: 467.60038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O4/c1-19(2)15-21(17-25(28)31)26(32)29-24-13-6-7-14-30(27(24)33)18-20-9-8-12-23(16-20)34-22-10-4-3-5-11-22/h3-5,8,10-12,16,19-21,24H,6-7,9,13-15,17-18H2,1-2H3,(H2,28,31)(H,29,32)