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

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-oxidanylidene-6-(3-oxidanylprop-1-ynyl)-1-(2-piperidin-1-ylethyl)quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-1-[2-(1-piperidyl)ethyl]quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-1-[2-(1-piperidinyl)ethyl]-3-quinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-1-(2-piperidin-1-ylethyl)quinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-6-(3-hydroxyprop-1-ynyl)-4-keto-1-(2-piperidinoethyl)quinoline-3-carboxamide Formula: C27H28ClN3O3 MolecularWeight: 477.98252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCN2C=C(C(=O)C3=C2C=CC(=C3)C#CCO)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(CC1)CCN2C=C(C(=O)C3=C2C=CC(=C3)C#CCO)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H28ClN3O3/c28-22-9-6-21(7-10-22)18-29-27(34)24-19-31(15-14-30-12-2-1-3-13-30)25-11-8-20(5-4-16-32)17-23(25)26(24)33/h6-11,17,19,32H,1-3,12-16,18H2,(H,29,34)