methyl 5-azanyl-1-[4-[(4-dimethylaminophenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-[(4-dimethylaminophenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-[(4-dimethylaminophenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[(4-dimethylaminophenyl)methylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-[(4-dimethylaminophenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[[4-(dimethylamino)benzyl]carbamoyl]phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OC)N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OC)N

InChI

InChI=1S/C21H23N5O3/c1-25(2)16-8-4-14(5-9-16)12-23-20(27)15-6-10-17(11-7-15)26-19(22)18(13-24-26)21(28)29-3/h4-11,13H,12,22H2,1-3H3,(H,23,27)