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

Systemtic Name: 4-(7-chloranylquinolin-4-yl)-N-[1-[(4-methoxyphenyl)methyl]-2-oxidanylidene-azepan-3-yl]piperazine-1-carboxamide Openeye Name: 4-(7-chloro-4-quinolyl)-N-[1-[(4-methoxyphenyl)methyl]-2-oxo-azepan-3-yl]piperazine-1-carboxamide CAS Name: 4-(7-chloro-4-quinolinyl)-N-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-azepanyl]-1-piperazinecarboxamide IUPAC Name: 4-(7-chloroquinolin-4-yl)-N-[1-[(4-methoxyphenyl)methyl]-2-oxoazepan-3-yl]piperazine-1-carboxamide Traditional Name: 4-(7-chloro-4-quinolyl)-N-(2-keto-1-p-anisyl-azepan-3-yl)piperazine-1-carboxamide Formula: C28H32ClN5O3 MolecularWeight: 522.03838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCCC(C2=O)NC(=O)N3CCN(CC3)C4=C5C=CC(=CC5=NC=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCCC(C2=O)NC(=O)N3CCN(CC3)C4=C5C=CC(=CC5=NC=C4)Cl

InChI

InChI=1S/C28H32ClN5O3/c1-37-22-8-5-20(6-9-22)19-34-13-3-2-4-24(27(34)35)31-28(36)33-16-14-32(15-17-33)26-11-12-30-25-18-21(29)7-10-23(25)26/h5-12,18,24H,2-4,13-17,19H2,1H3,(H,31,36)