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

Systemtic Name: 1-butyl-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]urea Openeye Name: 1-butyl-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea CAS Name: 1-butyl-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo(1-pyrrolidinyl)methyl]phenyl]urea IUPAC Name: 1-butyl-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea Traditional Name: 1-butyl-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea Formula: C25H32N4O2 MolecularWeight: 420.54718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)N4CCCC4

Isomeric SMILES

CCCCNC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)N4CCCC4

InChI

InChI=1S/C25H32N4O2/c1-2-3-13-26-25(31)27-21-10-11-23(22(17-21)24(30)28-14-6-7-15-28)29-16-12-19-8-4-5-9-20(19)18-29/h4-5,8-11,17H,2-3,6-7,12-16,18H2,1H3,(H2,26,27,31)