5-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide

Systemtic Name: 5-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide Openeye Name: 5-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide CAS Name: 5-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-[(3-nitrophenyl)methyl]-2-pyridinecarboxamide IUPAC Name: 5-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide Traditional Name: 5-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]-N-(3-nitrobenzyl)picolinamide Formula: C26H22N6O4 MolecularWeight: 482.49068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CN=C(C=C3)C(=O)NCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CN=C(C=C3)C(=O)NCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H22N6O4/c1-3-11-31(16-19-7-9-23-22(13-19)25(33)30-17(2)29-23)21-8-10-24(27-15-21)26(34)28-14-18-5-4-6-20(12-18)32(35)36/h1,4-10,12-13,15H,11,14,16H2,2H3,(H,28,34)(H,29,30,33)