methyl 5-azanyl-1-[4-[3-[methyl-(phenylmethyl)amino]propylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-[3-[methyl-(phenylmethyl)amino]propylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-[3-[benzyl(methyl)amino]propylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[3-[methyl-(phenylmethyl)amino]propylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-[3-[benzyl(methyl)amino]propylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[3-[benzyl(methyl)amino]propylcarbamoyl]phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)OC)N)CC3=CC=CC=C3

Isomeric SMILES

CN(CCCNC(=O)C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)OC)N)CC3=CC=CC=C3

InChI

InChI=1S/C23H27N5O3/c1-27(16-17-7-4-3-5-8-17)14-6-13-25-22(29)18-9-11-19(12-10-18)28-21(24)20(15-26-28)23(30)31-2/h3-5,7-12,15H,6,13-14,16,24H2,1-2H3,(H,25,29)