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

Systemtic Name: 4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-(3-pyridylmethyl)benzamide CAS Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]-N-(3-pyridylmethyl)benzamide Formula: C26H23N5O2 MolecularWeight: 437.49312

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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=CN=CC=C4

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C26H23N5O2/c1-3-13-31(17-19-6-11-24-23(14-19)26(33)30-18(2)29-24)22-9-7-21(8-10-22)25(32)28-16-20-5-4-12-27-15-20/h1,4-12,14-15H,13,16-17H2,2H3,(H,28,32)(H,29,30,33)