1-azanyl-N-[(4-chlorophenyl)methyl]-4-oxidanylidene-6-(3-oxidanylpropyl)quinoline-3-carboxamide

Systemtic Name: 1-azanyl-N-[(4-chlorophenyl)methyl]-4-oxidanylidene-6-(3-oxidanylpropyl)quinoline-3-carboxamide Openeye Name: 1-amino-N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-4-oxo-quinoline-3-carboxamide CAS Name: 1-amino-N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: 1-amino-N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-4-oxoquinoline-3-carboxamide Traditional Name: 1-amino-N-(4-chlorobenzyl)-6-(3-hydroxypropyl)-4-keto-quinoline-3-carboxamide Formula: C20H20ClN3O3 MolecularWeight: 385.8441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CN(C3=C(C2=O)C=C(C=C3)CCCO)N)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CN(C3=C(C2=O)C=C(C=C3)CCCO)N)Cl

InChI

InChI=1S/C20H20ClN3O3/c21-15-6-3-14(4-7-15)11-23-20(27)17-12-24(22)18-8-5-13(2-1-9-25)10-16(18)19(17)26/h3-8,10,12,25H,1-2,9,11,22H2,(H,23,27)