1-methyl-N-[[4-(2-methylpropoxy)phenyl]methyl]-4-oxidanylidene-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide

Systemtic Name: 1-methyl-N-[[4-(2-methylpropoxy)phenyl]methyl]-4-oxidanylidene-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide Openeye Name: N-[(4-isobutoxyphenyl)methyl]-1-methyl-4-oxo-N-(4-pyridylmethyl)quinoline-3-carboxamide CAS Name: 1-methyl-N-[[4-(2-methylpropoxy)phenyl]methyl]-4-oxo-N-(pyridin-4-ylmethyl)-3-quinolinecarboxamide IUPAC Name: 1-methyl-N-[[4-(2-methylpropoxy)phenyl]methyl]-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide Traditional Name: N-(4-isobutoxybenzyl)-4-keto-1-methyl-N-(4-pyridylmethyl)quinoline-3-carboxamide Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)CN(CC2=CC=NC=C2)C(=O)C3=CN(C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)CN(CC2=CC=NC=C2)C(=O)C3=CN(C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C28H29N3O3/c1-20(2)19-34-23-10-8-21(9-11-23)16-31(17-22-12-14-29-15-13-22)28(33)25-18-30(3)26-7-5-4-6-24(26)27(25)32/h4-15,18,20H,16-17,19H2,1-3H3