2-[2-[[(3-chloranyl-4-methyl-phenyl)amino]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[[(3-chloranyl-4-methyl-phenyl)amino]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(3-chloro-4-methyl-anilino)methyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[(3-chloro-4-methylanilino)methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(3-chloro-4-methylanilino)methyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[(3-chloro-4-methyl-anilino)methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C18H15ClN4O MolecularWeight: 338.7909

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC2=NC3=CC=CC=C3C(=O)N2CC#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NCC2=NC3=CC=CC=C3C(=O)N2CC#N)Cl

InChI

InChI=1S/C18H15ClN4O/c1-12-6-7-13(10-15(12)19)21-11-17-22-16-5-3-2-4-14(16)18(24)23(17)9-8-20/h2-7,10,21H,9,11H2,1H3