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

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-[1-(3-nitrophenyl)-2-oxidanyl-ethyl]benzamide Openeye Name: 4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-[2-hydroxy-1-(3-nitrophenyl)ethyl]benzamide CAS Name: 4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-[2-hydroxy-1-(3-nitrophenyl)ethyl]benzamide IUPAC Name: 4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-[2-hydroxy-1-(3-nitrophenyl)ethyl]benzamide Traditional Name: 4-[(2-amino-4-keto-1H-quinazolin-6-yl)methyl-propargyl-amino]-N-[2-hydroxy-1-(3-nitrophenyl)ethyl]benzamide Formula: C27H24N6O5 MolecularWeight: 512.51666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H24N6O5/c1-2-12-32(15-17-6-11-23-22(13-17)26(36)31-27(28)30-23)20-9-7-18(8-10-20)25(35)29-24(16-34)19-4-3-5-21(14-19)33(37)38/h1,3-11,13-14,24,34H,12,15-16H2,(H,29,35)(H3,28,30,31,36)