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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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