4-[3-(1,3-benzodioxol-5-yl)-1-methyl-5-(3-phenylpropyl)pyrazol-4-yl]pyridine

Systemtic Name: 4-[3-(1,3-benzodioxol-5-yl)-1-methyl-5-(3-phenylpropyl)pyrazol-4-yl]pyridine Openeye Name: 4-[3-(1,3-benzodioxol-5-yl)-1-methyl-5-(3-phenylpropyl)pyrazol-4-yl]pyridine CAS Name: 4-[3-(1,3-benzodioxol-5-yl)-1-methyl-5-(3-phenylpropyl)-4-pyrazolyl]pyridine IUPAC Name: 4-[3-(1,3-benzodioxol-5-yl)-1-methyl-5-(3-phenylpropyl)pyrazol-4-yl]pyridine Traditional Name: 4-[3-(1,3-benzodioxol-5-yl)-1-methyl-5-(3-phenylpropyl)pyrazol-4-yl]pyridine Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=NC=C4)CCCC5=CC=CC=C5

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=NC=C4)CCCC5=CC=CC=C5

InChI

InChI=1S/C25H23N3O2/c1-28-21(9-5-8-18-6-3-2-4-7-18)24(19-12-14-26-15-13-19)25(27-28)20-10-11-22-23(16-20)30-17-29-22/h2-4,6-7,10-16H,5,8-9,17H2,1H3