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

Systemtic Name: N-[(3-nitrophenyl)methyl]-4-[(4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide Openeye Name: N-[(3-nitrophenyl)methyl]-4-[(4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide CAS Name: N-[(3-nitrophenyl)methyl]-4-[(4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide IUPAC Name: N-[(3-nitrophenyl)methyl]-4-[(4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide Traditional Name: 4-[(4-keto-1H-quinazolin-6-yl)methyl-propargyl-amino]-N-(3-nitrobenzyl)benzamide Formula: C26H21N5O4 MolecularWeight: 467.47604

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H21N5O4/c1-2-12-30(16-19-6-11-24-23(14-19)26(33)29-17-28-24)21-9-7-20(8-10-21)25(32)27-15-18-4-3-5-22(13-18)31(34)35/h1,3-11,13-14,17H,12,15-16H2,(H,27,32)(H,28,29,33)