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

Systemtic Name: methyl 5-azanyl-1-[4-[3-[4-(phenylmethyl)piperazin-1-yl]propylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-[3-(4-benzylpiperazin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo-[3-[4-(phenylmethyl)-1-piperazinyl]propylamino]methyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-[3-(4-benzylpiperazin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[3-(4-benzylpiperazino)propylcarbamoyl]phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C26H32N6O3 MolecularWeight: 476.57068

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4)N

InChI

InChI=1S/C26H32N6O3/c1-35-26(34)23-18-29-32(24(23)27)22-10-8-21(9-11-22)25(33)28-12-5-13-30-14-16-31(17-15-30)19-20-6-3-2-4-7-20/h2-4,6-11,18H,5,12-17,19,27H2,1H3,(H,28,33)