4-(7-chloranylquinolin-4-yl)-N-(2-oxidanylidene-1-prop-2-enyl-azepan-3-yl)piperazine-1-carboxamide

Systemtic Name: 4-(7-chloranylquinolin-4-yl)-N-(2-oxidanylidene-1-prop-2-enyl-azepan-3-yl)piperazine-1-carboxamide Openeye Name: N-(1-allyl-2-oxo-azepan-3-yl)-4-(7-chloro-4-quinolyl)piperazine-1-carboxamide CAS Name: 4-(7-chloro-4-quinolinyl)-N-(2-oxo-1-prop-2-enyl-3-azepanyl)-1-piperazinecarboxamide IUPAC Name: 4-(7-chloroquinolin-4-yl)-N-(2-oxo-1-prop-2-enylazepan-3-yl)piperazine-1-carboxamide Traditional Name: N-(1-allyl-2-keto-azepan-3-yl)-4-(7-chloro-4-quinolyl)piperazine-1-carboxamide Formula: C23H28ClN5O2 MolecularWeight: 441.95372

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCCCC(C1=O)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl

Isomeric SMILES

C=CCN1CCCCC(C1=O)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C23H28ClN5O2/c1-2-10-28-11-4-3-5-19(22(28)30)26-23(31)29-14-12-27(13-15-29)21-8-9-25-20-16-17(24)6-7-18(20)21/h2,6-9,16,19H,1,3-5,10-15H2,(H,26,31)