4-[(7-bromanyl-2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-(pyridin-4-ylmethyl)benzamide

Systemtic Name: 4-[(7-bromanyl-2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 4-[(7-bromo-2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-(4-pyridylmethyl)benzamide CAS Name: 4-[(7-bromo-2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 4-[(7-bromo-2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 4-[(7-bromo-4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]-N-(4-pyridylmethyl)benzamide Formula: C26H22BrN5O2 MolecularWeight: 516.38918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=CC(=C(C=C2N1)Br)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

CC1=NC(=O)C2=CC(=C(C=C2N1)Br)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C26H22BrN5O2/c1-3-12-32(16-20-13-22-24(14-23(20)27)30-17(2)31-26(22)34)21-6-4-19(5-7-21)25(33)29-15-18-8-10-28-11-9-18/h1,4-11,13-14H,12,15-16H2,2H3,(H,29,33)(H,30,31,34)