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

Systemtic Name: 4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-[1-(3-nitrophenyl)-2-oxidanyl-ethyl]benzamide Openeye Name: N-[2-hydroxy-1-(3-nitrophenyl)ethyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide CAS Name: N-[2-hydroxy-1-(3-nitrophenyl)ethyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide IUPAC Name: N-[2-hydroxy-1-(3-nitrophenyl)ethyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide Traditional Name: N-[2-hydroxy-1-(3-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)NC(CO)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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