3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(phenylmethyl)pyrazole-4-carbaldehyde

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(phenylmethyl)pyrazole-4-carbaldehyde Openeye Name: 1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazole-4-carbaldehyde CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(phenylmethyl)-4-pyrazolecarboxaldehyde IUPAC Name: 1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazole-4-carbaldehyde Traditional Name: 1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazole-4-carbaldehyde Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O3/c23-14-17-13-22(12-15-5-2-1-3-6-15)21-20(17)16-7-8-18-19(11-16)25-10-4-9-24-18/h1-3,5-8,11,13-14H,4,9-10,12H2