1-[(2-nitrophenyl)methyl]-3-(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)urea

Systemtic Name: 1-[(2-nitrophenyl)methyl]-3-(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)urea Openeye Name: 1-[(2-nitrophenyl)methyl]-3-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolyl)urea CAS Name: 1-[(2-nitrophenyl)methyl]-3-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolinyl)urea IUPAC Name: 1-[(2-nitrophenyl)methyl]-3-(2,6,7-trimethyl-1-oxo-4-phenylisoquinolin-3-yl)urea Traditional Name: 1-(1-keto-2,6,7-trimethyl-4-phenyl-3-isoquinolyl)-3-(2-nitrobenzyl)urea Formula: C26H24N4O4 MolecularWeight: 456.49316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)NC(=O)NCC3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)NC(=O)NCC3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4)C

InChI

InChI=1S/C26H24N4O4/c1-16-13-20-21(14-17(16)2)25(31)29(3)24(23(20)18-9-5-4-6-10-18)28-26(32)27-15-19-11-7-8-12-22(19)30(33)34/h4-14H,15H2,1-3H3,(H2,27,28,32)