methyl 5-azanyl-1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(4-piperonylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C24H25N5O5 MolecularWeight: 463.4858

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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)CC4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C24H25N5O5/c1-32-24(31)19-13-26-29(22(19)25)18-5-3-17(4-6-18)23(30)28-10-8-27(9-11-28)14-16-2-7-20-21(12-16)34-15-33-20/h2-7,12-13H,8-11,14-15,25H2,1H3