1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]-3-(2,6-dimethylphenyl)urea

Systemtic Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]-3-(2,6-dimethylphenyl)urea Openeye Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-(2,6-dimethylphenyl)urea CAS Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo(1-pyrrolidinyl)methyl]phenyl]-3-(2,6-dimethylphenyl)urea IUPAC Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-(2,6-dimethylphenyl)urea Traditional Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-(2,6-dimethylphenyl)urea Formula: C29H32N4O2 MolecularWeight: 468.58998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)N5CCCC5

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)N5CCCC5

InChI

InChI=1S/C29H32N4O2/c1-20-8-7-9-21(2)27(20)31-29(35)30-24-12-13-26(25(18-24)28(34)32-15-5-6-16-32)33-17-14-22-10-3-4-11-23(22)19-33/h3-4,7-13,18H,5-6,14-17,19H2,1-2H3,(H2,30,31,35)