4-[4-(3-cyano-5,7-dimethyl-quinolin-2-yl)-1,4-diazepan-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(3-cyano-5,7-dimethyl-quinolin-2-yl)-1,4-diazepan-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(3-cyano-5,7-dimethyl-2-quinolyl)-1,4-diazepan-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-(3-cyano-5,7-dimethyl-2-quinolinyl)-1,4-diazepan-1-yl]-4-oxobutanoic acid IUPAC Name: 4-[4-(3-cyano-5,7-dimethylquinolin-2-yl)-1,4-diazepan-1-yl]-4-oxobutanoic acid Traditional Name: 4-[4-(3-cyano-5,7-dimethyl-2-quinolyl)-1,4-diazepan-1-yl]-4-keto-butyric acid Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=NC2=C1)N3CCCN(CC3)C(=O)CCC(=O)O)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)N3CCCN(CC3)C(=O)CCC(=O)O)C#N)C

InChI

InChI=1S/C21H24N4O3/c1-14-10-15(2)17-12-16(13-22)21(23-18(17)11-14)25-7-3-6-24(8-9-25)19(26)4-5-20(27)28/h10-12H,3-9H2,1-2H3,(H,27,28)