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

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-[2-oxidanylidene-1-(2-oxidanylpropyl)azepan-3-yl]piperazine-1-carboxamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[1-(2-hydroxypropyl)-2-oxo-azepan-3-yl]piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-[1-(2-hydroxypropyl)-2-oxo-3-azepanyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-[1-(2-hydroxypropyl)-2-oxoazepan-3-yl]piperazine-1-carboxamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[1-(2-hydroxypropyl)-2-keto-azepan-3-yl]piperazine-1-carboxamide Formula: C23H31ClN6O3 MolecularWeight: 474.98364

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCCC(C1=O)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)O

Isomeric SMILES

CC(CN1CCCCC(C1=O)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)O

InChI

InChI=1S/C23H31ClN6O3/c1-15(31)14-30-7-3-2-4-18(22(30)32)27-23(33)29-10-8-28(9-11-29)20-13-21(25)26-19-12-16(24)5-6-17(19)20/h5-6,12-13,15,18,31H,2-4,7-11,14H2,1H3,(H2,25,26)(H,27,33)