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

Systemtic Name: 4-[(2-methoxy-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-[(3-nitrophenyl)methyl]benzamide Openeye Name: 4-[(2-methoxy-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-[(3-nitrophenyl)methyl]benzamide CAS Name: 4-[(2-methoxy-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-[(3-nitrophenyl)methyl]benzamide IUPAC Name: 4-[(2-methoxy-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-[(3-nitrophenyl)methyl]benzamide Traditional Name: 4-[(4-keto-2-methoxy-1H-quinazolin-6-yl)methyl-propargyl-amino]-N-(3-nitrobenzyl)benzamide Formula: C27H23N5O5 MolecularWeight: 497.50202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H23N5O5/c1-3-13-31(17-19-7-12-24-23(15-19)26(34)30-27(29-24)37-2)21-10-8-20(9-11-21)25(33)28-16-18-5-4-6-22(14-18)32(35)36/h1,4-12,14-15H,13,16-17H2,2H3,(H,28,33)(H,29,30,34)