N-(azepan-4-yl)-4-(7-chloranylquinolin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(azepan-4-yl)-4-(7-chloranylquinolin-4-yl)piperazine-1-carboxamide Openeye Name: N-(azepan-4-yl)-4-(7-chloro-4-quinolyl)piperazine-1-carboxamide CAS Name: N-(4-azepanyl)-4-(7-chloro-4-quinolinyl)-1-piperazinecarboxamide IUPAC Name: N-(azepan-4-yl)-4-(7-chloroquinolin-4-yl)piperazine-1-carboxamide Traditional Name: N-(azepan-4-yl)-4-(7-chloro-4-quinolyl)piperazine-1-carboxamide Formula: C20H26ClN5O MolecularWeight: 387.90634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCNC1)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl

Isomeric SMILES

C1CC(CCNC1)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C20H26ClN5O/c21-15-3-4-17-18(14-15)23-9-6-19(17)25-10-12-26(13-11-25)20(27)24-16-2-1-7-22-8-5-16/h3-4,6,9,14,16,22H,1-2,5,7-8,10-13H2,(H,24,27)