ethanoic acid; N-methyl-2-(3-methylbutyl)-3-oxidanylidene-N-(2-piperidin-4-ylethyl)-4,5-dihydro-1H-2-benzazepine-7-carboxamide

Systemtic Name: ethanoic acid; N-methyl-2-(3-methylbutyl)-3-oxidanylidene-N-(2-piperidin-4-ylethyl)-4,5-dihydro-1H-2-benzazepine-7-carboxamide Openeye Name: acetic acid; 2-isopentyl-N-methyl-3-oxo-N-[2-(4-piperidyl)ethyl]-4,5-dihydro-1H-2-benzazepine-7-carboxamide CAS Name: acetic acid; N-methyl-2-(3-methylbutyl)-3-oxo-N-[2-(4-piperidinyl)ethyl]-4,5-dihydro-1H-2-benzazepine-7-carboxamide IUPAC Name: acetic acid; N-methyl-2-(3-methylbutyl)-3-oxo-N-(2-piperidin-4-ylethyl)-4,5-dihydro-1H-2-benzazepine-7-carboxamide Traditional Name: acetic acid; 2-isoamyl-3-keto-N-methyl-N-[2-(4-piperidyl)ethyl]-4,5-dihydro-1H-2-benzazepine-7-carboxamide Formula: C26H41N3O4 MolecularWeight: 459.62144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CC2=C(CCC1=O)C=C(C=C2)C(=O)N(C)CCC3CCNCC3.CC(=O)O

Isomeric SMILES

CC(C)CCN1CC2=C(CCC1=O)C=C(C=C2)C(=O)N(C)CCC3CCNCC3.CC(=O)O

InChI

InChI=1S/C24H37N3O2.C2H4O2/c1-18(2)10-15-27-17-22-5-4-21(16-20(22)6-7-23(27)28)24(29)26(3)14-11-19-8-12-25-13-9-19;1-2(3)4/h4-5,16,18-19,25H,6-15,17H2,1-3H3;1H3,(H,3,4)