1-methyl-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-3-(4-nitrophenyl)urea

Systemtic Name: 1-methyl-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-3-(4-nitrophenyl)urea Openeye Name: 1-methyl-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-(4-nitrophenyl)urea CAS Name: 1-methyl-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(4-nitrophenyl)urea IUPAC Name: 1-methyl-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(4-nitrophenyl)urea Traditional Name: 1-[2-keto-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-methyl-3-(4-nitrophenyl)urea Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2CCN1C(=O)CN(C)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1C2=CC=CC=C2CCN1C(=O)CN(C)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4/c1-14-18-6-4-3-5-15(18)11-12-23(14)19(25)13-22(2)20(26)21-16-7-9-17(10-8-16)24(27)28/h3-10,14H,11-13H2,1-2H3,(H,21,26)