ethyl 5-[[2-(1H-indol-3-yl)ethylamino]methyl]-1-(1-methyl-2-oxidanylidene-quinolin-4-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[2-(1H-indol-3-yl)ethylamino]methyl]-1-(1-methyl-2-oxidanylidene-quinolin-4-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[[2-(1H-indol-3-yl)ethylamino]methyl]-1-(1-methyl-2-oxo-4-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[2-(1H-indol-3-yl)ethylamino]methyl]-1-(1-methyl-2-oxo-4-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(1H-indol-3-yl)ethylamino]methyl]-1-(1-methyl-2-oxoquinolin-4-yl)pyrazole-4-carboxylate Traditional Name: 5-[[2-(1H-indol-3-yl)ethylamino]methyl]-1-(2-keto-1-methyl-4-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C27H27N5O3 MolecularWeight: 469.53498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)CNCCC4=CNC5=CC=CC=C54

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)CNCCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C27H27N5O3/c1-3-35-27(34)21-16-30-32(24-14-26(33)31(2)23-11-7-5-9-20(23)24)25(21)17-28-13-12-18-15-29-22-10-6-4-8-19(18)22/h4-11,14-16,28-29H,3,12-13,17H2,1-2H3