methyl 5-azanyl-1-[4-(4-phenylpiperazin-1-yl)carbonylphenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-(4-phenylpiperazin-1-yl)carbonylphenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-(4-phenylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-(4-phenylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(4-phenylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)N

InChI

InChI=1S/C22H23N5O3/c1-30-22(29)19-15-24-27(20(19)23)18-9-7-16(8-10-18)21(28)26-13-11-25(12-14-26)17-5-3-2-4-6-17/h2-10,15H,11-14,23H2,1H3