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

Systemtic Name: 3-[[4-(2-azanyl-7-chloranyl-quinolin-4-yl)piperazin-1-yl]carbonylamino]-2-oxidanylidene-N-prop-2-enyl-azepane-1-carboxamide Openeye Name: N-allyl-3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]-2-oxo-azepane-1-carboxamide CAS Name: 3-[[[4-(2-amino-7-chloro-4-quinolinyl)-1-piperazinyl]-oxomethyl]amino]-2-oxo-N-prop-2-enyl-1-azepanecarboxamide IUPAC Name: 3-[[4-(2-amino-7-chloroquinolin-4-yl)piperazine-1-carbonyl]amino]-2-oxo-N-prop-2-enylazepane-1-carboxamide Traditional Name: N-allyl-3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]-2-keto-azepane-1-carboxamide Formula: C24H30ClN7O3 MolecularWeight: 499.9931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30ClN7O3/c1-2-8-27-23(34)32-9-4-3-5-18(22(32)33)29-24(35)31-12-10-30(11-13-31)20-15-21(26)28-19-14-16(25)6-7-17(19)20/h2,6-7,14-15,18H,1,3-5,8-13H2,(H2,26,28)(H,27,34)(H,29,35)