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

Systemtic Name: ethyl 5-azanyl-1-[4-[3-[4-(phenylmethyl)piperazin-1-yl]propylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H34N6O3 MolecularWeight: 490.59726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N6O3/c1-2-36-27(35)24-19-30-33(25(24)28)23-11-9-22(10-12-23)26(34)29-13-6-14-31-15-17-32(18-16-31)20-21-7-4-3-5-8-21/h3-5,7-12,19H,2,6,13-18,20,28H2,1H3,(H,29,34)