4-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-methyl-amino]-N-[1-(3-nitrophenyl)-2-oxidanyl-ethyl]benzamide

Systemtic Name: 4-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-methyl-amino]-N-[1-(3-nitrophenyl)-2-oxidanyl-ethyl]benzamide Openeye Name: 4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-methyl-amino]-N-[2-hydroxy-1-(3-nitrophenyl)ethyl]benzamide CAS Name: 4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-methylamino]-N-[2-hydroxy-1-(3-nitrophenyl)ethyl]benzamide IUPAC Name: 4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-methylamino]-N-[2-hydroxy-1-(3-nitrophenyl)ethyl]benzamide Traditional Name: N-[2-hydroxy-1-(3-nitrophenyl)ethyl]-4-[(4-keto-2,7-dimethyl-1H-quinazolin-6-yl)methyl-methyl-amino]benzamide Formula: C27H27N5O5 MolecularWeight: 501.53378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(C)C3=CC=C(C=C3)C(=O)NC(CO)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(C)C3=CC=C(C=C3)C(=O)NC(CO)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H27N5O5/c1-16-11-24-23(27(35)29-17(2)28-24)13-20(16)14-31(3)21-9-7-18(8-10-21)26(34)30-25(15-33)19-5-4-6-22(12-19)32(36)37/h4-13,25,33H,14-15H2,1-3H3,(H,30,34)(H,28,29,35)