2-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(phenylmethyl)pyrazol-4-yl]methylidene]propanedinitrile

Systemtic Name: 2-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(phenylmethyl)pyrazol-4-yl]methylidene]propanedinitrile Openeye Name: 2-[[1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazol-4-yl]methylene]propanedinitrile CAS Name: 2-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(phenylmethyl)-4-pyrazolyl]methylidene]propanedinitrile IUPAC Name: 2-[[1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazol-4-yl]methylidene]propanedinitrile Traditional Name: 2-[[1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazol-4-yl]methylene]malononitrile Formula: C23H18N4O2 MolecularWeight: 382.41462

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=NN(C=C3C=C(C#N)C#N)CC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=NN(C=C3C=C(C#N)C#N)CC4=CC=CC=C4)OC1

InChI

InChI=1S/C23H18N4O2/c24-13-18(14-25)11-20-16-27(15-17-5-2-1-3-6-17)26-23(20)19-7-8-21-22(12-19)29-10-4-9-28-21/h1-3,5-8,11-12,16H,4,9-10,15H2