2-[2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[(4-veratrylpiperazino)methyl]quinazolin-3-yl]acetonitrile Formula: C24H27N5O3 MolecularWeight: 433.50288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=NC4=CC=CC=C4C(=O)N3CC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=NC4=CC=CC=C4C(=O)N3CC#N)OC

InChI

InChI=1S/C24H27N5O3/c1-31-21-8-7-18(15-22(21)32-2)16-27-11-13-28(14-12-27)17-23-26-20-6-4-3-5-19(20)24(30)29(23)10-9-25/h3-8,15H,10-14,16-17H2,1-2H3