ethyl 5-azanyl-1-[4-[(2-methylphenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-[(2-methylphenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-(o-tolylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[(2-methylphenyl)methylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[(2-methylphenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[(2-methylbenzyl)carbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3C)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3C)N

InChI

InChI=1S/C21H22N4O3/c1-3-28-21(27)18-13-24-25(19(18)22)17-10-8-15(9-11-17)20(26)23-12-16-7-5-4-6-14(16)2/h4-11,13H,3,12,22H2,1-2H3,(H,23,26)