4-[4-(3-cyano-7,8-dimethyl-quinolin-2-yl)-1,4-diazepan-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(3-cyano-7,8-dimethyl-quinolin-2-yl)-1,4-diazepan-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(3-cyano-7,8-dimethyl-2-quinolyl)-1,4-diazepan-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-(3-cyano-7,8-dimethyl-2-quinolinyl)-1,4-diazepan-1-yl]-4-oxobutanoic acid IUPAC Name: 4-[4-(3-cyano-7,8-dimethylquinolin-2-yl)-1,4-diazepan-1-yl]-4-oxobutanoic acid Traditional Name: 4-[4-(3-cyano-7,8-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=C(C2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)CCC(=O)O)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)CCC(=O)O)C#N)C

InChI

InChI=1S/C21H24N4O3/c1-14-4-5-16-12-17(13-22)21(23-20(16)15(14)2)25-9-3-8-24(10-11-25)18(26)6-7-19(27)28/h4-5,12H,3,6-11H2,1-2H3,(H,27,28)