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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)CC=CC4=CC=CC=C4OC

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C/C=C/C4=CC=CC=C4OC

InChI

InChI=1S/C25H29N3O/c1-3-27-15-17-28(18-16-27)25-23-13-6-4-10-21(23)19-22(26-25)12-8-11-20-9-5-7-14-24(20)29-2/h4-11,13-14,19H,3,12,15-18H2,1-2H3/b11-8+