3-[[5-(2-azanyl-6-chloranyl-quinazolin-4-yl)-2-methoxy-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 3-[[5-(2-azanyl-6-chloranyl-quinazolin-4-yl)-2-methoxy-phenoxy]methyl]benzenecarbonitrile Openeye Name: 3-[[5-(2-amino-6-chloro-quinazolin-4-yl)-2-methoxy-phenoxy]methyl]benzonitrile CAS Name: 3-[[5-(2-amino-6-chloro-4-quinazolinyl)-2-methoxyphenoxy]methyl]benzonitrile IUPAC Name: 3-[[5-(2-amino-6-chloroquinazolin-4-yl)-2-methoxyphenoxy]methyl]benzonitrile Traditional Name: 3-[[5-(2-amino-6-chloro-quinazolin-4-yl)-2-methoxy-phenoxy]methyl]benzonitrile Formula: C23H17ClN4O2 MolecularWeight: 416.85968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)N)OCC4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)N)OCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H17ClN4O2/c1-29-20-8-5-16(10-21(20)30-13-15-4-2-3-14(9-15)12-25)22-18-11-17(24)6-7-19(18)27-23(26)28-22/h2-11H,13H2,1H3,(H2,26,27,28)