N-[(4-chlorophenyl)methyl]-6-oxidanyl-4-oxidanylidene-1-(2-piperidin-1-ylethyl)-3-prop-1-ynyl-2H-quinoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-oxidanyl-4-oxidanylidene-1-(2-piperidin-1-ylethyl)-3-prop-1-ynyl-2H-quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-6-hydroxy-4-oxo-1-[2-(1-piperidyl)ethyl]-3-prop-1-ynyl-2H-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-6-hydroxy-4-oxo-1-[2-(1-piperidinyl)ethyl]-3-prop-1-ynyl-2H-quinoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6-hydroxy-4-oxo-1-(2-piperidin-1-ylethyl)-3-prop-1-ynyl-2H-quinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-6-hydroxy-4-keto-1-(2-piperidinoethyl)-3-prop-1-ynyl-2H-quinoline-3-carboxamide Formula: C27H30ClN3O3 MolecularWeight: 479.9984

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1(CN(C2=C(C1=O)C=C(C=C2)O)CCN3CCCCC3)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CC#CC1(CN(C2=C(C1=O)C=C(C=C2)O)CCN3CCCCC3)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H30ClN3O3/c1-2-12-27(26(34)29-18-20-6-8-21(28)9-7-20)19-31(16-15-30-13-4-3-5-14-30)24-11-10-22(32)17-23(24)25(27)33/h6-11,17,32H,3-5,13-16,18-19H2,1H3,(H,29,34)