1-butyl-3-[4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]urea

Systemtic Name: 1-butyl-3-[4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]urea Openeye Name: 1-butyl-3-[4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]urea CAS Name: 1-butyl-3-[4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]urea IUPAC Name: 1-butyl-3-[4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]urea Traditional Name: 1-butyl-3-[4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]urea Formula: C21H26ClN3O MolecularWeight: 371.90364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CC=CC2=C1CN(CC2C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCCCNC(=O)NC1=CC=CC2=C1CN(CC2C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H26ClN3O/c1-3-4-12-23-21(26)24-20-7-5-6-17-18(13-25(2)14-19(17)20)15-8-10-16(22)11-9-15/h5-11,18H,3-4,12-14H2,1-2H3,(H2,23,24,26)