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

Systemtic Name: 4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]benzamide Openeye Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide CAS Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide IUPAC Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide Traditional Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzamide Formula: C28H25N5O5 MolecularWeight: 511.5286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC(C4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC(C4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C28H25N5O5/c1-3-14-32(17-19-4-13-25-24(15-19)28(36)31-18(2)30-25)22-9-7-21(8-10-22)27(35)29-16-26(34)20-5-11-23(12-6-20)33(37)38/h1,4-13,15,26,34H,14,16-17H2,2H3,(H,29,35)(H,30,31,36)