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

Systemtic Name: N-(2-cyano-1-phenyl-propan-2-yl)-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide Openeye Name: N-(1-cyano-1-methyl-2-phenyl-ethyl)-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide CAS Name: N-(2-cyano-1-phenylpropan-2-yl)-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide IUPAC Name: N-(2-cyano-1-phenylpropan-2-yl)-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide Traditional Name: N-(1-cyano-1-methyl-2-phenyl-ethyl)-4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzamide Formula: C30H27N5O2 MolecularWeight: 489.56768

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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(=O)NC(C)(CC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NC(C)(CC4=CC=CC=C4)C#N

InChI

InChI=1S/C30H27N5O2/c1-4-16-35(19-23-10-15-27-26(17-23)29(37)33-21(2)32-27)25-13-11-24(12-14-25)28(36)34-30(3,20-31)18-22-8-6-5-7-9-22/h1,5-15,17H,16,18-19H2,2-3H3,(H,34,36)(H,32,33,37)