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

Systemtic Name: 2-azanyl-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-[(3-nitrophenyl)methyl]benzamide Openeye Name: 2-amino-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-[(3-nitrophenyl)methyl]benzamide CAS Name: 2-amino-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-[(3-nitrophenyl)methyl]benzamide IUPAC Name: 2-amino-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-[(3-nitrophenyl)methyl]benzamide Traditional Name: 2-amino-4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]-N-(3-nitrobenzyl)benzamide Formula: C27H24N6O4 MolecularWeight: 496.51726

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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)NCC4=CC(=CC=C4)[N+](=O)[O-])N

Isomeric SMILES

CC1=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-])N

InChI

InChI=1S/C27H24N6O4/c1-3-11-32(16-19-7-10-25-23(13-19)27(35)31-17(2)30-25)20-8-9-22(24(28)14-20)26(34)29-15-18-5-4-6-21(12-18)33(36)37/h1,4-10,12-14H,11,15-16,28H2,2H3,(H,29,34)(H,30,31,35)