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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylamino]piperidin-1-yl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-1-piperidyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methylamino]-1-piperidinyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]benzamide Traditional Name: 4-[4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylamino]piperidino]-N-piperonyl-benzamide Formula: C28H35N5O3 MolecularWeight: 489.6092

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)CNC2CCN(CC2)C3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CNC2CCN(CC2)C3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C28H35N5O3/c1-4-33-20(3)25(19(2)31-33)17-29-23-11-13-32(14-12-23)24-8-6-22(7-9-24)28(34)30-16-21-5-10-26-27(15-21)36-18-35-26/h5-10,15,23,29H,4,11-14,16-18H2,1-3H3,(H,30,34)