propyl 4-(4-piperidin-1-ylphthalazin-1-yl)benzoate

Systemtic Name: propyl 4-(4-piperidin-1-ylphthalazin-1-yl)benzoate Openeye Name: propyl 4-[4-(1-piperidyl)phthalazin-1-yl]benzoate CAS Name: 4-[4-(1-piperidinyl)-1-phthalazinyl]benzoic acid propyl ester IUPAC Name: propyl 4-(4-piperidin-1-ylphthalazin-1-yl)benzoate Traditional Name: 4-(4-piperidinophthalazin-1-yl)benzoic acid propyl ester Formula: C23H25N3O2 MolecularWeight: 375.4635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCCCC4

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCCCC4

InChI

InChI=1S/C23H25N3O2/c1-2-16-28-23(27)18-12-10-17(11-13-18)21-19-8-4-5-9-20(19)22(25-24-21)26-14-6-3-7-15-26/h4-5,8-13H,2-3,6-7,14-16H2,1H3