N-[(3-cyanophenyl)methyl]-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide

Systemtic Name: N-[(3-cyanophenyl)methyl]-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide Openeye Name: N-[(3-cyanophenyl)methyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide CAS Name: N-[(3-cyanophenyl)methyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide IUPAC Name: N-[(3-cyanophenyl)methyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide Traditional Name: N-(3-cyanobenzyl)-4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzamide Formula: C28H23N5O2 MolecularWeight: 461.51452

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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)NCC4=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)NCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C28H23N5O2/c1-3-13-33(18-22-7-12-26-25(15-22)28(35)32-19(2)31-26)24-10-8-23(9-11-24)27(34)30-17-21-6-4-5-20(14-21)16-29/h1,4-12,14-15H,13,17-18H2,2H3,(H,30,34)(H,31,32,35)