2-(3-azanyl-5-cyclohexa-2,4-dien-1-yl-2-oxidanylidene-azepan-1-yl)-N,3-dimethyl-butanamide

Systemtic Name: 2-(3-azanyl-5-cyclohexa-2,4-dien-1-yl-2-oxidanylidene-azepan-1-yl)-N,3-dimethyl-butanamide Openeye Name: 2-(3-amino-5-cyclohexa-2,4-dien-1-yl-2-oxo-azepan-1-yl)-N,3-dimethyl-butanamide CAS Name: 2-[3-amino-5-(1-cyclohexa-2,4-dienyl)-2-oxo-1-azepanyl]-N,3-dimethylbutanamide IUPAC Name: 2-(3-amino-5-cyclohexa-2,4-dien-1-yl-2-oxoazepan-1-yl)-N,3-dimethylbutanamide Traditional Name: 2-(3-amino-5-cyclohexa-2,4-dien-1-yl-2-keto-azepan-1-yl)-N,3-dimethyl-butyramide Formula: C18H29N3O2 MolecularWeight: 319.44176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC)N1CCC(CC(C1=O)N)C2CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)NC)N1CCC(CC(C1=O)N)C2CC=CC=C2

InChI

InChI=1S/C18H29N3O2/c1-12(2)16(17(22)20-3)21-10-9-14(11-15(19)18(21)23)13-7-5-4-6-8-13/h4-7,12-16H,8-11,19H2,1-3H3,(H,20,22)