2-(1-ethyl-3-methyl-pyrazol-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-4-carboxamide

Systemtic Name: 2-(1-ethyl-3-methyl-pyrazol-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-4-carboxamide Openeye Name: 2-(1-ethyl-3-methyl-pyrazol-4-yl)-N-[3-(morpholinomethyl)phenyl]quinoline-4-carboxamide CAS Name: 2-(1-ethyl-3-methyl-4-pyrazolyl)-N-[3-(4-morpholinylmethyl)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1-ethyl-3-methylpyrazol-4-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-4-carboxamide Traditional Name: 2-(1-ethyl-3-methyl-pyrazol-4-yl)-N-[3-(morpholinomethyl)phenyl]cinchoninamide Formula: C27H29N5O2 MolecularWeight: 455.55146

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC(=C4)CN5CCOCC5

Isomeric SMILES

CCN1C=C(C(=N1)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC(=C4)CN5CCOCC5

InChI

InChI=1S/C27H29N5O2/c1-3-32-18-24(19(2)30-32)26-16-23(22-9-4-5-10-25(22)29-26)27(33)28-21-8-6-7-20(15-21)17-31-11-13-34-14-12-31/h4-10,15-16,18H,3,11-14,17H2,1-2H3,(H,28,33)