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

Systemtic Name: prop-2-enyl (3S)-3-[[4-(2-azanyl-7-chloranyl-quinolin-4-yl)piperazin-1-yl]carbonylamino]-2-oxidanylidene-azepane-1-carboxylate Openeye Name: allyl (3S)-3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]-2-oxo-azepane-1-carboxylate CAS Name: (3S)-3-[[[4-(2-amino-7-chloro-4-quinolinyl)-1-piperazinyl]-oxomethyl]amino]-2-oxo-1-azepanecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (3S)-3-[[4-(2-amino-7-chloroquinolin-4-yl)piperazine-1-carbonyl]amino]-2-oxoazepane-1-carboxylate Traditional Name: (3S)-3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]-2-keto-azepane-1-carboxylic acid allyl ester Formula: C24H29ClN6O4 MolecularWeight: 500.97786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C=CCOC(=O)N1CCCC[C@@H](C1=O)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N

InChI

InChI=1S/C24H29ClN6O4/c1-2-13-35-24(34)31-8-4-3-5-18(22(31)32)28-23(33)30-11-9-29(10-12-30)20-15-21(26)27-19-14-16(25)6-7-17(19)20/h2,6-7,14-15,18H,1,3-5,8-13H2,(H2,26,27)(H,28,33)/t18-/m0/s1