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

Systemtic Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(phenylmethyl)pyrazol-4-yl]methanol Openeye Name: [1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazol-4-yl]methanol CAS Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(phenylmethyl)-4-pyrazolyl]methanol IUPAC Name: [1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazol-4-yl]methanol Traditional Name: [1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazol-4-yl]methanol Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=NN(C=C3CO)CC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=NN(C=C3CO)CC4=CC=CC=C4)OC1

InChI

InChI=1S/C20H20N2O3/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/h1-3,5-8,11,13,23H,4,9-10,12,14H2