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

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-oxidanylidene-6-(3-oxidanylprop-1-ynyl)-1-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-1-[3-(1-piperidyl)propyl]quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-1-[3-(1-piperidinyl)propyl]-3-quinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-1-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-6-(3-hydroxyprop-1-ynyl)-4-keto-1-(3-piperidinopropyl)quinoline-3-carboxamide Formula: C28H30ClN3O3 MolecularWeight: 492.0091

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCN2C=C(C(=O)C3=C2C=CC(=C3)C#CCO)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(CC1)CCCN2C=C(C(=O)C3=C2C=CC(=C3)C#CCO)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H30ClN3O3/c29-23-10-7-22(8-11-23)19-30-28(35)25-20-32(16-5-15-31-13-2-1-3-14-31)26-12-9-21(6-4-17-33)18-24(26)27(25)34/h7-12,18,20,33H,1-3,5,13-17,19H2,(H,30,35)