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

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-(1-cyclopropylcarbonyl-2-oxidanylidene-azepan-3-yl)piperazine-1-carboxamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[1-(cyclopropanecarbonyl)-2-oxo-azepan-3-yl]piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-[1-[cyclopropyl(oxo)methyl]-2-oxo-3-azepanyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-[1-(cyclopropanecarbonyl)-2-oxoazepan-3-yl]piperazine-1-carboxamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[1-(cyclopropanecarbonyl)-2-keto-azepan-3-yl]piperazine-1-carboxamide Formula: C24H29ClN6O3 MolecularWeight: 484.97846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)C(=O)C5CC5

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)C(=O)C5CC5

InChI

InChI=1S/C24H29ClN6O3/c25-16-6-7-17-19(13-16)27-21(26)14-20(17)29-9-11-30(12-10-29)24(34)28-18-3-1-2-8-31(23(18)33)22(32)15-4-5-15/h6-7,13-15,18H,1-5,8-12H2,(H2,26,27)(H,28,34)