1-(4-ethylpiperazin-1-yl)-3-phenyl-4-(3-pyridin-3-ylpropoxy)isoquinoline

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-phenyl-4-(3-pyridin-3-ylpropoxy)isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-phenyl-4-[3-(3-pyridyl)propoxy]isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-3-phenyl-4-[3-(3-pyridinyl)propoxy]isoquinoline IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-phenyl-4-(3-pyridin-3-ylpropoxy)isoquinoline Traditional Name: 1-(4-ethylpiperazino)-3-phenyl-4-[3-(3-pyridyl)propoxy]isoquinoline Formula: C29H32N4O MolecularWeight: 452.59058

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=C(C3=CC=CC=C32)OCCCC4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=C(C3=CC=CC=C32)OCCCC4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H32N4O/c1-2-32-17-19-33(20-18-32)29-26-15-7-6-14-25(26)28(27(31-29)24-12-4-3-5-13-24)34-21-9-11-23-10-8-16-30-22-23/h3-8,10,12-16,22H,2,9,11,17-21H2,1H3