2-[4-[[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-amino]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-amino]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-amino]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-ethylamino]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-ethylamino]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl-ethyl-amino]methyl]phenyl]benzonitrile Formula: C25H21ClN4O MolecularWeight: 428.91344

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

CCN(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C25H21ClN4O/c1-2-30(16-24-28-23-13-20(26)11-12-22(23)25(31)29-24)15-17-7-9-18(10-8-17)21-6-4-3-5-19(21)14-27/h3-13H,2,15-16H2,1H3,(H,28,29,31)