ethyl 1-(1-methyl-2-oxidanylidene-quinolin-4-yl)-5-[(naphthalen-1-ylmethylamino)methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(1-methyl-2-oxidanylidene-quinolin-4-yl)-5-[(naphthalen-1-ylmethylamino)methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(1-methyl-2-oxo-4-quinolyl)-5-[(1-naphthylmethylamino)methyl]pyrazole-4-carboxylate CAS Name: 1-(1-methyl-2-oxo-4-quinolinyl)-5-[(1-naphthalenylmethylamino)methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[(naphthalen-1-ylmethylamino)methyl]pyrazole-4-carboxylate Traditional Name: 1-(2-keto-1-methyl-4-quinolyl)-5-[(1-naphthylmethylamino)methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C28H26N4O3 MolecularWeight: 466.53104

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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)CNCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)CNCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H26N4O3/c1-3-35-28(34)23-17-30-32(25-15-27(33)31(2)24-14-7-6-13-22(24)25)26(23)18-29-16-20-11-8-10-19-9-4-5-12-21(19)20/h4-15,17,29H,3,16,18H2,1-2H3