ethyl 3-cyano-6-ethanoyl-8-phenylazanyl-1,7-dihydropyrazolo[1,5-a][1,3]diazepine-8-carboxylate

Systemtic Name: ethyl 3-cyano-6-ethanoyl-8-phenylazanyl-1,7-dihydropyrazolo[1,5-a][1,3]diazepine-8-carboxylate Openeye Name: ethyl 6-acetyl-8-anilino-3-cyano-1,7-dihydropyrazolo[1,5-a][1,3]diazepine-8-carboxylate CAS Name: 6-acetyl-8-anilino-3-cyano-1,7-dihydropyrazolo[1,5-a][1,3]diazepine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 6-acetyl-8-anilino-3-cyano-1,7-dihydropyrazolo[1,5-a][1,3]diazepine-8-carboxylate Traditional Name: 6-acetyl-8-anilino-3-cyano-1,7-dihydropyrazolo[1,5-a][1,3]diazepine-8-carboxylic acid ethyl ester Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(=CN=C2N1NC=C2C#N)C(=O)C)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC(=CN=C2N1NC=C2C#N)C(=O)C)NC3=CC=CC=C3

InChI

InChI=1S/C19H19N5O3/c1-3-27-18(26)19(23-16-7-5-4-6-8-16)9-14(13(2)25)11-21-17-15(10-20)12-22-24(17)19/h4-8,11-12,22-23H,3,9H2,1-2H3