2-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[cyclopentyl(piperonyl)amino]methyl]-1H-quinazolin-4-one Formula: C22H23N3O3 MolecularWeight: 377.43632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)CC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)CC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C22H23N3O3/c26-22-17-7-3-4-8-18(17)23-21(24-22)13-25(16-5-1-2-6-16)12-15-9-10-19-20(11-15)28-14-27-19/h3-4,7-11,16H,1-2,5-6,12-14H2,(H,23,24,26)