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

Systemtic Name: ethyl 5-azanyl-1-[4-[3-[methyl-(phenylmethyl)amino]propylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H29N5O3 MolecularWeight: 435.51876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCCN(C)CC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCCN(C)CC3=CC=CC=C3)N

InChI

InChI=1S/C24H29N5O3/c1-3-32-24(31)21-16-27-29(22(21)25)20-12-10-19(11-13-20)23(30)26-14-7-15-28(2)17-18-8-5-4-6-9-18/h4-6,8-13,16H,3,7,14-15,17,25H2,1-2H3,(H,26,30)