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

Systemtic Name: 2-[7-[methyl(2-pyridin-4-ylethyl)carbamoyl]-3-oxidanylidene-1,2,4,5-tetrahydro-2-benzazepin-4-yl]ethanoate Openeye Name: 2-[7-[methyl-[2-(4-pyridyl)ethyl]carbamoyl]-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl]acetate CAS Name: 2-[7-[[methyl(2-pyridin-4-ylethyl)amino]-oxomethyl]-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl]acetate IUPAC Name: 2-[7-[methyl(2-pyridin-4-ylethyl)carbamoyl]-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl]acetate Traditional Name: 2-[3-keto-7-[methyl-[2-(4-pyridyl)ethyl]carbamoyl]-1,2,4,5-tetrahydro-2-benzazepin-4-yl]acetate Formula: C21H22N3O4- MolecularWeight: 380.41708

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=NC=C1)C(=O)C2=CC3=C(CNC(=O)C(C3)CC(=O)[O-])C=C2

Isomeric SMILES

CN(CCC1=CC=NC=C1)C(=O)C2=CC3=C(CNC(=O)C(C3)CC(=O)[O-])C=C2

InChI

InChI=1S/C21H23N3O4/c1-24(9-6-14-4-7-22-8-5-14)21(28)15-2-3-16-13-23-20(27)18(12-19(25)26)11-17(16)10-15/h2-5,7-8,10,18H,6,9,11-13H2,1H3,(H,23,27)(H,25,26)/p-1