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

Systemtic Name: 4-[4-(3-cyano-7-methyl-quinolin-2-yl)-1,4-diazepan-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(3-cyano-7-methyl-2-quinolyl)-1,4-diazepan-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-(3-cyano-7-methyl-2-quinolinyl)-1,4-diazepan-1-yl]-4-oxobutanoic acid IUPAC Name: 4-[4-(3-cyano-7-methylquinolin-2-yl)-1,4-diazepan-1-yl]-4-oxobutanoic acid Traditional Name: 4-[4-(3-cyano-7-methyl-2-quinolyl)-1,4-diazepan-1-yl]-4-keto-butyric acid Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)CCC(=O)O)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)CCC(=O)O)C#N

InChI

InChI=1S/C20H22N4O3/c1-14-3-4-15-12-16(13-21)20(22-17(15)11-14)24-8-2-7-23(9-10-24)18(25)5-6-19(26)27/h3-4,11-12H,2,5-10H2,1H3,(H,26,27)