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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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