4-(7-chloranylquinolin-4-yl)-N-[2-oxidanylidene-1-(phenylmethyl)azepan-3-yl]piperazine-1-carboxamide

Systemtic Name: 4-(7-chloranylquinolin-4-yl)-N-[2-oxidanylidene-1-(phenylmethyl)azepan-3-yl]piperazine-1-carboxamide Openeye Name: N-(1-benzyl-2-oxo-azepan-3-yl)-4-(7-chloro-4-quinolyl)piperazine-1-carboxamide CAS Name: 4-(7-chloro-4-quinolinyl)-N-[2-oxo-1-(phenylmethyl)-3-azepanyl]-1-piperazinecarboxamide IUPAC Name: N-(1-benzyl-2-oxoazepan-3-yl)-4-(7-chloroquinolin-4-yl)piperazine-1-carboxamide Traditional Name: N-(1-benzyl-2-keto-azepan-3-yl)-4-(7-chloro-4-quinolyl)piperazine-1-carboxamide Formula: C27H30ClN5O2 MolecularWeight: 492.0124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C27H30ClN5O2/c28-21-9-10-22-24(18-21)29-12-11-25(22)31-14-16-32(17-15-31)27(35)30-23-8-4-5-13-33(26(23)34)19-20-6-2-1-3-7-20/h1-3,6-7,9-12,18,23H,4-5,8,13-17,19H2,(H,30,35)