2-[2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[methyl(piperonyl)amino]methyl]quinazolin-3-yl]acetonitrile Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCO2)CC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCO2)CC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C20H18N4O3/c1-23(11-14-6-7-17-18(10-14)27-13-26-17)12-19-22-16-5-3-2-4-15(16)20(25)24(19)9-8-21/h2-7,10H,9,11-13H2,1H3