N-[(3-cyanophenyl)methyl]-4-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-fluoranyl-benzamide

Systemtic Name: N-[(3-cyanophenyl)methyl]-4-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-fluoranyl-benzamide Openeye Name: N-[(3-cyanophenyl)methyl]-4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-fluoro-benzamide CAS Name: N-[(3-cyanophenyl)methyl]-4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzamide IUPAC Name: N-[(3-cyanophenyl)methyl]-4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzamide Traditional Name: N-(3-cyanobenzyl)-2-fluoro-4-[(4-keto-2,7-dimethyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzamide Formula: C29H24FN5O2 MolecularWeight: 493.531563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(CC#C)C3=CC(=C(C=C3)C(=O)NCC4=CC=CC(=C4)C#N)F

Isomeric SMILES

CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(CC#C)C3=CC(=C(C=C3)C(=O)NCC4=CC=CC(=C4)C#N)F

InChI

InChI=1S/C29H24FN5O2/c1-4-10-35(17-22-13-25-27(11-18(22)2)33-19(3)34-29(25)37)23-8-9-24(26(30)14-23)28(36)32-16-21-7-5-6-20(12-21)15-31/h1,5-9,11-14H,10,16-17H2,2-3H3,(H,32,36)(H,33,34,37)