N-(1,3-benzodioxol-5-ylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentanamine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentanamine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentanamine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(1-phenyl-4-pyrazolyl)methyl]cyclopentanamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentanamine Traditional Name: cyclopentyl-[(1-phenylpyrazol-4-yl)methyl]-piperonyl-amine Formula: C23H25N3O2 MolecularWeight: 375.4635

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)CC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)CC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C23H25N3O2/c1-2-8-21(9-3-1)26-16-19(13-24-26)15-25(20-6-4-5-7-20)14-18-10-11-22-23(12-18)28-17-27-22/h1-3,8-13,16,20H,4-7,14-15,17H2