1-(phenylmethyl)-3-(1-pyrazol-1-ylbut-3-enyl)indole

Systemtic Name: 1-(phenylmethyl)-3-(1-pyrazol-1-ylbut-3-enyl)indole Openeye Name: 1-benzyl-3-(1-pyrazol-1-ylbut-3-enyl)indole CAS Name: 1-(phenylmethyl)-3-[1-(1-pyrazolyl)but-3-enyl]indole IUPAC Name: 1-benzyl-3-(1-pyrazol-1-ylbut-3-enyl)indole Traditional Name: 1-benzyl-3-(1-pyrazol-1-ylbut-3-enyl)indole Formula: C22H21N3 MolecularWeight: 327.42224

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)N4C=CC=N4

Isomeric SMILES

C=CCC(C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)N4C=CC=N4

InChI

InChI=1S/C22H21N3/c1-2-9-22(25-15-8-14-23-25)20-17-24(16-18-10-4-3-5-11-18)21-13-7-6-12-19(20)21/h2-8,10-15,17,22H,1,9,16H2