ethyl 2-[7-[2-(4-cyanophenyl)ethynyl]-3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoate

Systemtic Name: ethyl 2-[7-[2-(4-cyanophenyl)ethynyl]-3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoate Openeye Name: ethyl 2-[7-[2-(4-cyanophenyl)ethynyl]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetate CAS Name: 2-[7-[2-(4-cyanophenyl)ethynyl]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-[2-(4-cyanophenyl)ethynyl]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetate Traditional Name: 2-[7-[2-(4-cyanophenyl)ethynyl]-3-keto-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid ethyl ester Formula: C31H28N2O3 MolecularWeight: 476.56562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CC2=C(CN(C1=O)CCC3=CC=CC=C3)C=CC(=C2)C#CC4=CC=C(C=C4)C#N

Isomeric SMILES

CCOC(=O)CC1CC2=C(CN(C1=O)CCC3=CC=CC=C3)C=CC(=C2)C#CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C31H28N2O3/c1-2-36-30(34)20-29-19-28-18-25(11-8-24-9-12-26(21-32)13-10-24)14-15-27(28)22-33(31(29)35)17-16-23-6-4-3-5-7-23/h3-7,9-10,12-15,18,29H,2,16-17,19-20,22H2,1H3