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

Systemtic Name: 3-[(3-methyl-2-oxidanylidene-5-piperazin-1-yl-4H-quinazolin-1-yl)methyl]benzenecarbonitrile hydrochloride Openeye Name: 3-[(3-methyl-2-oxo-5-piperazin-1-yl-4H-quinazolin-1-yl)methyl]benzonitrile hydrochloride CAS Name: 3-[[3-methyl-2-oxo-5-(1-piperazinyl)-4H-quinazolin-1-yl]methyl]benzonitrile hydrochloride IUPAC Name: 3-[(3-methyl-2-oxo-5-piperazin-1-yl-4H-quinazolin-1-yl)methyl]benzonitrile hydrochloride Traditional Name: 3-[(2-keto-3-methyl-5-piperazino-4H-quinazolin-1-yl)methyl]benzonitrile hydrochloride Formula: C21H24ClN5O MolecularWeight: 397.90116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O.ClH/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;1H