N-butyl-N-[(3-methyl-1-phenyl-5-propyl-pyrazol-4-yl)methyl]-1,3-benzodioxol-4-amine

Systemtic Name: N-butyl-N-[(3-methyl-1-phenyl-5-propyl-pyrazol-4-yl)methyl]-1,3-benzodioxol-4-amine Openeye Name: N-butyl-N-[(3-methyl-1-phenyl-5-propyl-pyrazol-4-yl)methyl]-1,3-benzodioxol-4-amine CAS Name: N-butyl-N-[(3-methyl-1-phenyl-5-propyl-4-pyrazolyl)methyl]-1,3-benzodioxol-4-amine IUPAC Name: N-butyl-N-[(3-methyl-1-phenyl-5-propylpyrazol-4-yl)methyl]-1,3-benzodioxol-4-amine Traditional Name: 1,3-benzodioxol-4-yl-butyl-[(3-methyl-1-phenyl-5-propyl-pyrazol-4-yl)methyl]amine Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=C(N(N=C1C)C2=CC=CC=C2)CCC)C3=C4C(=CC=C3)OCO4

Isomeric SMILES

CCCCN(CC1=C(N(N=C1C)C2=CC=CC=C2)CCC)C3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C25H31N3O2/c1-4-6-16-27(23-14-10-15-24-25(23)30-18-29-24)17-21-19(3)26-28(22(21)11-5-2)20-12-8-7-9-13-20/h7-10,12-15H,4-6,11,16-18H2,1-3H3