N-[(3,4-diethoxyphenyl)methyl]-2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[(3,4-diethoxyphenyl)methyl]-2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[(3,4-diethoxyphenyl)methyl]-2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[(3,4-diethoxyphenyl)methyl]-2-(1-ethyl-5-methyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[(3,4-diethoxyphenyl)methyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-(3,4-diethoxybenzyl)-2-(1-ethyl-5-methyl-pyrazol-4-yl)cinchoninamide Formula: C27H30N4O3 MolecularWeight: 458.5521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC(=C(C=C4)OCC)OCC)C

Isomeric SMILES

CCN1C(=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC(=C(C=C4)OCC)OCC)C

InChI

InChI=1S/C27H30N4O3/c1-5-31-18(4)22(17-29-31)24-15-21(20-10-8-9-11-23(20)30-24)27(32)28-16-19-12-13-25(33-6-2)26(14-19)34-7-3/h8-15,17H,5-7,16H2,1-4H3,(H,28,32)