1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-(3,5-dimethylphenyl)urea

Systemtic Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-(3,5-dimethylphenyl)urea Openeye Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-(3,5-dimethylphenyl)urea CAS Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-(3,5-dimethylphenyl)urea IUPAC Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-(3,5-dimethylphenyl)urea Traditional Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-(3,5-dimethylphenyl)urea Formula: C21H27N3O MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)NCCCN2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)NCCCN2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C21H27N3O/c1-16-12-17(2)14-20(13-16)23-21(25)22-9-5-10-24-11-8-18-6-3-4-7-19(18)15-24/h3-4,6-7,12-14H,5,8-11,15H2,1-2H3,(H2,22,23,25)