6-methoxy-5-pentoxy-2-[2-(4-piperidin-1-ylphenyl)ethyl]isoquinolin-1-one

Systemtic Name: 6-methoxy-5-pentoxy-2-[2-(4-piperidin-1-ylphenyl)ethyl]isoquinolin-1-one Openeye Name: 6-methoxy-5-pentoxy-2-[2-[4-(1-piperidyl)phenyl]ethyl]isoquinolin-1-one CAS Name: 6-methoxy-5-pentoxy-2-[2-[4-(1-piperidinyl)phenyl]ethyl]-1-isoquinolinone IUPAC Name: 6-methoxy-5-pentoxy-2-[2-(4-piperidin-1-ylphenyl)ethyl]isoquinolin-1-one Traditional Name: 5-amoxy-6-methoxy-2-[2-(4-piperidinophenyl)ethyl]isocarbostyril Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CC2=C1C=CN(C2=O)CCC3=CC=C(C=C3)N4CCCCC4)OC

Isomeric SMILES

CCCCCOC1=C(C=CC2=C1C=CN(C2=O)CCC3=CC=C(C=C3)N4CCCCC4)OC

InChI

InChI=1S/C28H36N2O3/c1-3-4-8-21-33-27-24-16-20-30(28(31)25(24)13-14-26(27)32-2)19-15-22-9-11-23(12-10-22)29-17-6-5-7-18-29/h9-14,16,20H,3-8,15,17-19,21H2,1-2H3