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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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