propan-2-yl 2-cyano-6-(4-cyanophenyl)carbonyl-4,4-dimethyl-1,5-dihydropyrrolo[2,3-d]azepine-8-carboxylate

Systemtic Name: propan-2-yl 2-cyano-6-(4-cyanophenyl)carbonyl-4,4-dimethyl-1,5-dihydropyrrolo[2,3-d]azepine-8-carboxylate Openeye Name: isopropyl 2-cyano-6-(4-cyanobenzoyl)-4,4-dimethyl-1,5-dihydropyrrolo[2,3-d]azepine-8-carboxylate CAS Name: 2-cyano-6-[(4-cyanophenyl)-oxomethyl]-4,4-dimethyl-1,5-dihydropyrrolo[2,3-d]azepine-8-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-cyano-6-(4-cyanobenzoyl)-4,4-dimethyl-1,5-dihydropyrrolo[2,3-d]azepine-8-carboxylate Traditional Name: 2-cyano-6-(4-cyanobenzoyl)-4,4-dimethyl-1,5-dihydropyrrol[2,3-d]azepine-8-carboxylic acid isopropyl ester Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CN(CC(C2=C1NC(=C2)C#N)(C)C)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)OC(=O)C1=CN(CC(C2=C1NC(=C2)C#N)(C)C)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H22N4O3/c1-14(2)30-22(29)18-12-27(21(28)16-7-5-15(10-24)6-8-16)13-23(3,4)19-9-17(11-25)26-20(18)19/h5-9,12,14,26H,13H2,1-4H3