1-[(4-chlorophenyl)methyl]-3-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-[(4-chlorophenyl)methyl]-3-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea CAS Name: 1-[(4-chlorophenyl)methyl]-3-[2-[cyclopropyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Traditional Name: 1-(4-chlorobenzyl)-3-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC1C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O2/c22-18-6-1-14(2-7-18)12-23-21(27)24-19-8-5-15-9-10-25(13-17(15)11-19)20(26)16-3-4-16/h1-2,5-8,11,16H,3-4,9-10,12-13H2,(H2,23,24,27)