7-nitro-4-(phenylcarbonyl)-3-(phenylmethyl)-2-propyl-isoquinolin-1-one

Systemtic Name: 7-nitro-4-(phenylcarbonyl)-3-(phenylmethyl)-2-propyl-isoquinolin-1-one Openeye Name: 4-benzoyl-3-benzyl-7-nitro-2-propyl-isoquinolin-1-one CAS Name: 4-benzoyl-7-nitro-3-(phenylmethyl)-2-propyl-1-isoquinolinone IUPAC Name: 4-benzoyl-3-benzyl-7-nitro-2-propylisoquinolin-1-one Traditional Name: 4-benzoyl-3-benzyl-7-nitro-2-propyl-isocarbostyril Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=C(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H22N2O4/c1-2-15-27-23(16-18-9-5-3-6-10-18)24(25(29)19-11-7-4-8-12-19)21-14-13-20(28(31)32)17-22(21)26(27)30/h3-14,17H,2,15-16H2,1H3