ethyl 1-(1-methyl-2-oxidanylidene-quinolin-4-yl)-5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(1-methyl-2-oxidanylidene-quinolin-4-yl)-5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(1-methyl-2-oxo-4-quinolyl)-5-[(tetralin-1-ylamino)methyl]pyrazole-4-carboxylate CAS Name: 1-(1-methyl-2-oxo-4-quinolinyl)-5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]pyrazole-4-carboxylate Traditional Name: 1-(2-keto-1-methyl-4-quinolyl)-5-[(tetralin-1-ylamino)methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C27H28N4O3 MolecularWeight: 456.53622

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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)CNC4CCCC5=CC=CC=C45

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)CNC4CCCC5=CC=CC=C45

InChI

InChI=1S/C27H28N4O3/c1-3-34-27(33)21-16-29-31(24-15-26(32)30(2)23-14-7-6-12-20(23)24)25(21)17-28-22-13-8-10-18-9-4-5-11-19(18)22/h4-7,9,11-12,14-16,22,28H,3,8,10,13,17H2,1-2H3