1-(4-ethylpiperazin-1-yl)-3-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]isoquinoline

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[(E)-2-(4-methoxyphenyl)-1-methyl-vinyl]isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]isoquinoline IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]isoquinoline Traditional Name: 1-(4-ethylpiperazino)-3-[(E)-2-(4-methoxyphenyl)-1-methyl-vinyl]isoquinoline Formula: C25H29N3O MolecularWeight: 387.51726

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C(=CC4=CC=C(C=C4)OC)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)/C(=C/C4=CC=C(C=C4)OC)/C

InChI

InChI=1S/C25H29N3O/c1-4-27-13-15-28(16-14-27)25-23-8-6-5-7-21(23)18-24(26-25)19(2)17-20-9-11-22(29-3)12-10-20/h5-12,17-18H,4,13-16H2,1-3H3/b19-17+