N-[5-(2-azanyl-6-chloranyl-quinazolin-4-yl)-2-methyl-phenyl]-3-cyano-benzamide

Systemtic Name: N-[5-(2-azanyl-6-chloranyl-quinazolin-4-yl)-2-methyl-phenyl]-3-cyano-benzamide Openeye Name: N-[5-(2-amino-6-chloro-quinazolin-4-yl)-2-methyl-phenyl]-3-cyano-benzamide CAS Name: N-[5-(2-amino-6-chloro-4-quinazolinyl)-2-methylphenyl]-3-cyanobenzamide IUPAC Name: N-[5-(2-amino-6-chloroquinazolin-4-yl)-2-methylphenyl]-3-cyanobenzamide Traditional Name: N-[5-(2-amino-6-chloro-quinazolin-4-yl)-2-methyl-phenyl]-3-cyano-benzamide Formula: C23H16ClN5O MolecularWeight: 413.85904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)N)NC(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)N)NC(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H16ClN5O/c1-13-5-6-15(21-18-11-17(24)7-8-19(18)28-23(26)29-21)10-20(13)27-22(30)16-4-2-3-14(9-16)12-25/h2-11H,1H3,(H,27,30)(H2,26,28,29)