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

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-oxidanyl-4-oxidanylidene-1-(3-piperidin-1-ylpropyl)-3-prop-1-ynyl-2H-quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-6-hydroxy-4-oxo-1-[3-(1-piperidyl)propyl]-3-prop-1-ynyl-2H-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-6-hydroxy-4-oxo-1-[3-(1-piperidinyl)propyl]-3-prop-1-ynyl-2H-quinoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6-hydroxy-4-oxo-1-(3-piperidin-1-ylpropyl)-3-prop-1-ynyl-2H-quinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-6-hydroxy-4-keto-1-(3-piperidinopropyl)-3-prop-1-ynyl-2H-quinoline-3-carboxamide Formula: C28H32ClN3O3 MolecularWeight: 494.02498

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1(CN(C2=C(C1=O)C=C(C=C2)O)CCCN3CCCCC3)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CC#CC1(CN(C2=C(C1=O)C=C(C=C2)O)CCCN3CCCCC3)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H32ClN3O3/c1-2-13-28(27(35)30-19-21-7-9-22(29)10-8-21)20-32(17-6-16-31-14-4-3-5-15-31)25-12-11-23(33)18-24(25)26(28)34/h7-12,18,33H,3-6,14-17,19-20H2,1H3,(H,30,35)