N-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-N-[3-(4-methyl-1-piperazinyl)propyl]-3-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazole-3-carboxamide Traditional Name: 2,5-dimethyl-N-[3-(4-methylpiperazino)propyl]-N-piperonyl-pyrazole-3-carboxamide Formula: C22H31N5O3 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N(CCCN2CCN(CC2)C)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N(CCCN2CCN(CC2)C)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H31N5O3/c1-17-13-19(25(3)23-17)22(28)27(8-4-7-26-11-9-24(2)10-12-26)15-18-5-6-20-21(14-18)30-16-29-20/h5-6,13-14H,4,7-12,15-16H2,1-3H3