N-(cyanomethyl)-2-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide

Systemtic Name: N-(cyanomethyl)-2-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide Openeye Name: N-(cyanomethyl)-2-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide CAS Name: N-(cyanomethyl)-2-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide IUPAC Name: N-(cyanomethyl)-2-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide Traditional Name: N-(cyanomethyl)-2-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzamide Formula: C22H19N5O2 MolecularWeight: 385.41856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=CC=C3C(=O)NCC#N

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=CC=C3C(=O)NCC#N

InChI

InChI=1S/C22H19N5O2/c1-3-12-27(20-7-5-4-6-17(20)21(28)24-11-10-23)14-16-8-9-19-18(13-16)22(29)26-15(2)25-19/h1,4-9,13H,11-12,14H2,2H3,(H,24,28)(H,25,26,29)