N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(3-pyrazol-1-ylpropylamino)-1-piperidyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-[3-(1-pyrazolyl)propylamino]-1-piperidinyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]benzamide Traditional Name: N-piperonyl-4-[4-(3-pyrazol-1-ylpropylamino)piperidino]benzamide Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCCCN2C=CC=N2)C3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1NCCCN2C=CC=N2)C3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H31N5O3/c32-26(28-18-20-3-8-24-25(17-20)34-19-33-24)21-4-6-23(7-5-21)30-15-9-22(10-16-30)27-11-1-13-31-14-2-12-29-31/h2-8,12,14,17,22,27H,1,9-11,13,15-16,18-19H2,(H,28,32)