1-(3-methoxyphenyl)-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea

Systemtic Name: 1-(3-methoxyphenyl)-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Openeye Name: 1-(3-methoxyphenyl)-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea CAS Name: 1-(3-methoxyphenyl)-3-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-(3-methoxyphenyl)-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Traditional Name: 1-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3-methoxyphenyl)urea Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H25N3O3/c1-14(2)20(25)24-10-9-15-7-8-18(11-16(15)13-24)23-21(26)22-17-5-4-6-19(12-17)27-3/h4-8,11-12,14H,9-10,13H2,1-3H3,(H2,22,23,26)