1-(4-ethylpiperazin-1-yl)-3-[4-(3-methoxyphenyl)phenyl]isoquinoline

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(3-methoxyphenyl)phenyl]isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(3-methoxyphenyl)phenyl]isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[4-(3-methoxyphenyl)phenyl]isoquinoline IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(3-methoxyphenyl)phenyl]isoquinoline Traditional Name: 1-(4-ethylpiperazino)-3-[4-(3-methoxyphenyl)phenyl]isoquinoline Formula: C28H29N3O MolecularWeight: 423.54936

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC(=CC=C5)OC

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC(=CC=C5)OC

InChI

InChI=1S/C28H29N3O/c1-3-30-15-17-31(18-16-30)28-26-10-5-4-7-24(26)20-27(29-28)22-13-11-21(12-14-22)23-8-6-9-25(19-23)32-2/h4-14,19-20H,3,15-18H2,1-2H3