1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-(3-methylphenyl)urea Openeye Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-(m-tolyl)urea CAS Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-(3-methylphenyl)urea IUPAC Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-(3-methylphenyl)urea Traditional Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-(m-tolyl)urea Formula: C27H32N4O MolecularWeight: 428.56918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H32N4O/c1-20-7-6-10-24(17-20)29-27(32)28-18-26(22-11-13-25(14-12-22)30(2)3)31-16-15-21-8-4-5-9-23(21)19-31/h4-14,17,26H,15-16,18-19H2,1-3H3,(H2,28,29,32)