2-[2-butyl-7-[methyl(2-pyridin-4-ylethyl)carbamoyl]-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoate

Systemtic Name: 2-[2-butyl-7-[methyl(2-pyridin-4-ylethyl)carbamoyl]-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoate Openeye Name: 2-[2-butyl-7-[methyl-[2-(4-pyridyl)ethyl]carbamoyl]-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]acetate CAS Name: 2-[2-butyl-7-[[methyl(2-pyridin-4-ylethyl)amino]-oxomethyl]-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]acetate IUPAC Name: 2-[2-butyl-7-[methyl(2-pyridin-4-ylethyl)carbamoyl]-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]acetate Traditional Name: 2-[2-butyl-3-keto-7-[methyl-[2-(4-pyridyl)ethyl]carbamoyl]-4,5-dihydro-1H-2-benzazepin-4-yl]acetate Formula: C25H30N3O4- MolecularWeight: 436.5234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC2=C(CC(C1=O)CC(=O)[O-])C=C(C=C2)C(=O)N(C)CCC3=CC=NC=C3

Isomeric SMILES

CCCCN1CC2=C(CC(C1=O)CC(=O)[O-])C=C(C=C2)C(=O)N(C)CCC3=CC=NC=C3

InChI

InChI=1S/C25H31N3O4/c1-3-4-12-28-17-20-6-5-19(14-21(20)15-22(25(28)32)16-23(29)30)24(31)27(2)13-9-18-7-10-26-11-8-18/h5-8,10-11,14,22H,3-4,9,12-13,15-17H2,1-2H3,(H,29,30)/p-1