3-[(3-methyl-2-oxidanylidene-5-piperazin-1-yl-4H-quinazolin-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(3-methyl-2-oxidanylidene-5-piperazin-1-yl-4H-quinazolin-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(3-methyl-2-oxo-5-piperazin-1-yl-4H-quinazolin-1-yl)methyl]benzonitrile CAS Name: 3-[[3-methyl-2-oxo-5-(1-piperazinyl)-4H-quinazolin-1-yl]methyl]benzonitrile IUPAC Name: 3-[(3-methyl-2-oxo-5-piperazin-1-yl-4H-quinazolin-1-yl)methyl]benzonitrile Traditional Name: 3-[(2-keto-3-methyl-5-piperazino-4H-quinazolin-1-yl)methyl]benzonitrile Formula: C21H23N5O MolecularWeight: 361.44022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC=C2N3CCNCC3)N(C1=O)CC4=CC=CC(=C4)C#N

Isomeric SMILES

CN1CC2=C(C=CC=C2N3CCNCC3)N(C1=O)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H23N5O/c1-24-15-18-19(25-10-8-23-9-11-25)6-3-7-20(18)26(21(24)27)14-17-5-2-4-16(12-17)13-22/h2-7,12,23H,8-11,14-15H2,1H3