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

Systemtic Name: 4-[[2-(hydroxymethyl)-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-[(3-nitrophenyl)methyl]benzamide Openeye Name: 4-[[2-(hydroxymethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-[(3-nitrophenyl)methyl]benzamide CAS Name: 4-[[2-(hydroxymethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]-N-[(3-nitrophenyl)methyl]benzamide IUPAC Name: 4-[[2-(hydroxymethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]-N-[(3-nitrophenyl)methyl]benzamide Traditional Name: 4-[(4-keto-2-methylol-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:

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)CO)C3=CC=C(C=C3)C(=O)NCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)CO)C3=CC=C(C=C3)C(=O)NCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

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