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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)OCCCC5=CN=CC=C5

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)OCCCC5=CN=CC=C5

InChI

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