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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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