4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-(1-methyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl)piperazine-1-carboxamide

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-(1-methyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl)piperazine-1-carboxamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl)piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl)-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl)piperazine-1-carboxamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-(2-keto-1-methyl-4,5-dihydro-3H-1-benzazepin-3-yl)piperazine-1-carboxamide Formula: C25H27ClN6O2 MolecularWeight: 478.97388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2CCC(C1=O)NC(=O)N3CCN(CC3)C4=CC(=NC5=C4C=CC(=C5)Cl)N

Isomeric SMILES

CN1C2=CC=CC=C2CCC(C1=O)NC(=O)N3CCN(CC3)C4=CC(=NC5=C4C=CC(=C5)Cl)N

InChI

InChI=1S/C25H27ClN6O2/c1-30-21-5-3-2-4-16(21)6-9-19(24(30)33)29-25(34)32-12-10-31(11-13-32)22-15-23(27)28-20-14-17(26)7-8-18(20)22/h2-5,7-8,14-15,19H,6,9-13H2,1H3,(H2,27,28)(H,29,34)