3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butyl]-1-[(3-nitrophenyl)methyl]quinazoline-2,4-dione

Systemtic Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butyl]-1-[(3-nitrophenyl)methyl]quinazoline-2,4-dione Openeye Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butyl]-1-[(3-nitrophenyl)methyl]quinazoline-2,4-dione CAS Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-1-[(3-nitrophenyl)methyl]quinazoline-2,4-dione IUPAC Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-1-[(3-nitrophenyl)methyl]quinazoline-2,4-dione Traditional Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-butyl]-1-(3-nitrobenzyl)quinazoline-2,4-quinone Formula: C28H26N4O5 MolecularWeight: 498.52984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCCN3C(=O)C4=CC=CC=C4N(C3=O)CC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCCN3C(=O)C4=CC=CC=C4N(C3=O)CC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H26N4O5/c33-26(29-16-14-21-8-1-2-9-22(21)19-29)13-6-15-30-27(34)24-11-3-4-12-25(24)31(28(30)35)18-20-7-5-10-23(17-20)32(36)37/h1-5,7-12,17H,6,13-16,18-19H2