2-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-7-chloranyl-1H-quinazolin-4-one

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-7-chloranyl-1H-quinazolin-4-one Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-7-chloro-1H-quinazolin-4-one CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-7-chloro-1H-quinazolin-4-one IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-7-chloro-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[cyclopentyl(piperonyl)amino]methyl]-1H-quinazolin-4-one Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)CC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

Isomeric SMILES

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)CC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

InChI

InChI=1S/C22H22ClN3O3/c23-15-6-7-17-18(10-15)24-21(25-22(17)27)12-26(16-3-1-2-4-16)11-14-5-8-19-20(9-14)29-13-28-19/h5-10,16H,1-4,11-13H2,(H,24,25,27)