2-chloranyl-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzenecarbonitrile

Systemtic Name: 2-chloranyl-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzenecarbonitrile Openeye Name: 2-chloro-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzonitrile CAS Name: 2-chloro-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzonitrile IUPAC Name: 2-chloro-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzonitrile Traditional Name: 2-chloro-4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzonitrile Formula: C20H15ClN4O MolecularWeight: 362.8123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C20H15ClN4O/c1-3-8-25(16-6-5-15(11-22)18(21)10-16)12-14-4-7-19-17(9-14)20(26)24-13(2)23-19/h1,4-7,9-10H,8,12H2,2H3,(H,23,24,26)