[(3R,4S)-6-cyano-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl] ethanoate

Systemtic Name: [(3R,4S)-6-cyano-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl] ethanoate Openeye Name: [(3R,4S)-6-cyano-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl] acetate CAS Name: acetic acid [(3R,4S)-6-cyano-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl] ester IUPAC Name: [(3R,4S)-6-cyano-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl] acetate Traditional Name: acetic acid [(3R,4S)-6-cyano-1-(2-dimethylaminoethyl)-2-keto-4-(4-methoxyphenyl)-4,5-dihydro-3H-1-benzazepin-3-yl] ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(CC2=C(C=CC=C2N(C1=O)CCN(C)C)C#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H](CC2=C(C=CC=C2N(C1=O)CCN(C)C)C#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H27N3O4/c1-16(28)31-23-21(17-8-10-19(30-4)11-9-17)14-20-18(15-25)6-5-7-22(20)27(24(23)29)13-12-26(2)3/h5-11,21,23H,12-14H2,1-4H3/t21-,23+/m0/s1