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

Systemtic Name: 1-(3-methylbutyl)-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-3-(4-nitrophenyl)urea Openeye Name: 1-isopentyl-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-(4-nitrophenyl)urea CAS Name: 1-(3-methylbutyl)-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(4-nitrophenyl)urea IUPAC Name: 1-(3-methylbutyl)-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(4-nitrophenyl)urea Traditional Name: 1-isoamyl-1-[2-keto-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-nitrophenyl)urea Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O4/c1-17(2)12-14-26(24(30)25-20-8-10-21(11-9-20)28(31)32)16-23(29)27-15-13-19-6-4-5-7-22(19)18(27)3/h4-11,17-18H,12-16H2,1-3H3,(H,25,30)