2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]-3-(1-methylpyrazol-4-yl)-1-phenyl-propan-1-one

Systemtic Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]-3-(1-methylpyrazol-4-yl)-1-phenyl-propan-1-one Openeye Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxy-propoxy]-3-(1-methylpyrazol-4-yl)-1-phenyl-propan-1-one CAS Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-3-(1-methyl-4-pyrazolyl)-1-phenyl-1-propanone IUPAC Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-3-(1-methylpyrazol-4-yl)-1-phenylpropan-1-one Traditional Name: 2-[3-(homoveratrylamino)-2-hydroxy-propoxy]-3-(1-methylpyrazol-4-yl)-1-phenyl-propan-1-one Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CC(C(=O)C2=CC=CC=C2)OCC(CNCCC3=CC(=C(C=C3)OC)OC)O

Isomeric SMILES

CN1C=C(C=N1)CC(C(=O)C2=CC=CC=C2)OCC(CNCCC3=CC(=C(C=C3)OC)OC)O

InChI

InChI=1S/C26H33N3O5/c1-29-17-20(15-28-29)14-25(26(31)21-7-5-4-6-8-21)34-18-22(30)16-27-12-11-19-9-10-23(32-2)24(13-19)33-3/h4-10,13,15,17,22,25,27,30H,11-12,14,16,18H2,1-3H3