3-[[4-(2-azanyl-7-chloranyl-quinolin-4-yl)piperazin-1-yl]carbonylamino]-N-(2,6-diethylphenyl)-2-oxidanylidene-azepane-1-carboxamide

Systemtic Name: 3-[[4-(2-azanyl-7-chloranyl-quinolin-4-yl)piperazin-1-yl]carbonylamino]-N-(2,6-diethylphenyl)-2-oxidanylidene-azepane-1-carboxamide Openeye Name: 3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]-N-(2,6-diethylphenyl)-2-oxo-azepane-1-carboxamide CAS Name: 3-[[[4-(2-amino-7-chloro-4-quinolinyl)-1-piperazinyl]-oxomethyl]amino]-N-(2,6-diethylphenyl)-2-oxo-1-azepanecarboxamide IUPAC Name: 3-[[4-(2-amino-7-chloroquinolin-4-yl)piperazine-1-carbonyl]amino]-N-(2,6-diethylphenyl)-2-oxoazepane-1-carboxamide Traditional Name: 3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]-N-(2,6-diethylphenyl)-2-keto-azepane-1-carboxamide Formula: C31H38ClN7O3 MolecularWeight: 592.13152

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)N2CCCCC(C2=O)NC(=O)N3CCN(CC3)C4=CC(=NC5=C4C=CC(=C5)Cl)N

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)N2CCCCC(C2=O)NC(=O)N3CCN(CC3)C4=CC(=NC5=C4C=CC(=C5)Cl)N

InChI

InChI=1S/C31H38ClN7O3/c1-3-20-8-7-9-21(4-2)28(20)36-31(42)39-13-6-5-10-24(29(39)40)35-30(41)38-16-14-37(15-17-38)26-19-27(33)34-25-18-22(32)11-12-23(25)26/h7-9,11-12,18-19,24H,3-6,10,13-17H2,1-2H3,(H2,33,34)(H,35,41)(H,36,42)