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

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-[1-(cyclopropylmethyl)-2-oxidanylidene-azepan-3-yl]piperazine-1-carboxamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[1-(cyclopropylmethyl)-2-oxo-azepan-3-yl]piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-[1-(cyclopropylmethyl)-2-oxo-3-azepanyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-[1-(cyclopropylmethyl)-2-oxoazepan-3-yl]piperazine-1-carboxamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[1-(cyclopropylmethyl)-2-keto-azepan-3-yl]piperazine-1-carboxamide Formula: C24H31ClN6O2 MolecularWeight: 470.99494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)CC5CC5

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)CC5CC5

InChI

InChI=1S/C24H31ClN6O2/c25-17-6-7-18-20(13-17)27-22(26)14-21(18)29-9-11-30(12-10-29)24(33)28-19-3-1-2-8-31(23(19)32)15-16-4-5-16/h6-7,13-14,16,19H,1-5,8-12,15H2,(H2,26,27)(H,28,33)