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

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperazine-1-carboxamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperazine-1-carboxamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-(2-keto-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperazine-1-carboxamide Formula: C24H25ClN6O2 MolecularWeight: 464.9473

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1NC(=O)N3CCN(CC3)C4=CC(=NC5=C4C=CC(=C5)Cl)N

Isomeric SMILES

C1CC2=CC=CC=C2NC(=O)C1NC(=O)N3CCN(CC3)C4=CC(=NC5=C4C=CC(=C5)Cl)N

InChI

InChI=1S/C24H25ClN6O2/c25-16-6-7-17-20(13-16)27-22(26)14-21(17)30-9-11-31(12-10-30)24(33)29-19-8-5-15-3-1-2-4-18(15)28-23(19)32/h1-4,6-7,13-14,19H,5,8-12H2,(H2,26,27)(H,28,32)(H,29,33)