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

Systemtic Name: 4-[[2-(2-methoxyethoxymethyl)-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-[(3-nitrophenyl)methyl]benzamide Openeye Name: 4-[[2-(2-methoxyethoxymethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-[(3-nitrophenyl)methyl]benzamide CAS Name: 4-[[2-(2-methoxyethoxymethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]-N-[(3-nitrophenyl)methyl]benzamide IUPAC Name: 4-[[2-(2-methoxyethoxymethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]-N-[(3-nitrophenyl)methyl]benzamide Traditional Name: 4-[[4-keto-2-(2-methoxyethoxymethyl)-1H-quinazolin-6-yl]methyl-propargyl-amino]-N-(3-nitrobenzyl)benzamide Formula: C30H29N5O6 MolecularWeight: 555.58116

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCC1=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

COCCOCC1=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/C30H29N5O6/c1-3-13-34(19-22-7-12-27-26(17-22)30(37)33-28(32-27)20-41-15-14-40-2)24-10-8-23(9-11-24)29(36)31-18-21-5-4-6-25(16-21)35(38)39/h1,4-12,16-17H,13-15,18-20H2,2H3,(H,31,36)(H,32,33,37)