1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propyl]-3-(2,4-dimethylphenyl)urea

Systemtic Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propyl]-3-(2,4-dimethylphenyl)urea Openeye Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propyl]-3-(2,4-dimethylphenyl)urea CAS Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(2,4-dimethylphenyl)urea IUPAC Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(2,4-dimethylphenyl)urea Traditional Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propyl]-3-(2,4-dimethylphenyl)urea Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NCC(CN2CCC3=CC=CC=C3C2)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NCC(CN2CCC3=CC=CC=C3C2)O)C

InChI

InChI=1S/C21H27N3O2/c1-15-7-8-20(16(2)11-15)23-21(26)22-12-19(25)14-24-10-9-17-5-3-4-6-18(17)13-24/h3-8,11,19,25H,9-10,12-14H2,1-2H3,(H2,22,23,26)