4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-[1-(2,2-dimethylpropanoyl)-2-oxidanylidene-azepan-3-yl]piperazine-1-carboxamide

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-[1-(2,2-dimethylpropanoyl)-2-oxidanylidene-azepan-3-yl]piperazine-1-carboxamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[1-(2,2-dimethylpropanoyl)-2-oxo-azepan-3-yl]piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-[1-(2,2-dimethyl-1-oxopropyl)-2-oxo-3-azepanyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-[1-(2,2-dimethylpropanoyl)-2-oxoazepan-3-yl]piperazine-1-carboxamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-(2-keto-1-pivaloyl-azepan-3-yl)piperazine-1-carboxamide Formula: C25H33ClN6O3 MolecularWeight: 501.02092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCCCC(C1=O)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N

Isomeric SMILES

CC(C)(C)C(=O)N1CCCCC(C1=O)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N

InChI

InChI=1S/C25H33ClN6O3/c1-25(2,3)23(34)32-9-5-4-6-18(22(32)33)29-24(35)31-12-10-30(11-13-31)20-15-21(27)28-19-14-16(26)7-8-17(19)20/h7-8,14-15,18H,4-6,9-13H2,1-3H3,(H2,27,28)(H,29,35)