2-azanyl-4-(2,5-diethoxyphenyl)-5-ethoxy-6-methyl-7-oxidanylidene-1,4-dihydroazepine-3-carbonitrile

Systemtic Name: 2-azanyl-4-(2,5-diethoxyphenyl)-5-ethoxy-6-methyl-7-oxidanylidene-1,4-dihydroazepine-3-carbonitrile Openeye Name: 2-amino-4-(2,5-diethoxyphenyl)-5-ethoxy-6-methyl-7-oxo-1,4-dihydroazepine-3-carbonitrile CAS Name: 2-amino-4-(2,5-diethoxyphenyl)-5-ethoxy-6-methyl-7-oxo-1,4-dihydroazepine-3-carbonitrile IUPAC Name: 2-amino-4-(2,5-diethoxyphenyl)-5-ethoxy-6-methyl-7-oxo-1,4-dihydroazepine-3-carbonitrile Traditional Name: 2-amino-4-(2,5-diethoxyphenyl)-5-ethoxy-7-keto-6-methyl-1,4-dihydroazepine-3-carbonitrile Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)C2C(=C(NC(=O)C(=C2OCC)C)N)C#N

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)C2C(=C(NC(=O)C(=C2OCC)C)N)C#N

InChI

InChI=1S/C20H25N3O4/c1-5-25-13-8-9-16(26-6-2)14(10-13)17-15(11-21)19(22)23-20(24)12(4)18(17)27-7-3/h8-10,17H,5-7,22H2,1-4H3,(H,23,24)