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

Systemtic Name: 1-(1-adamantyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]urea Openeye Name: 1-(1-adamantyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea CAS Name: 1-(1-adamantyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo(1-pyrrolidinyl)methyl]phenyl]urea IUPAC Name: 1-(1-adamantyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea Traditional Name: 1-(1-adamantyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea Formula: C31H38N4O2 MolecularWeight: 498.65902

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4)N6CCC7=CC=CC=C7C6

Isomeric SMILES

C1CCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4)N6CCC7=CC=CC=C7C6

InChI

InChI=1S/C31H38N4O2/c36-29(34-10-3-4-11-34)27-16-26(7-8-28(27)35-12-9-24-5-1-2-6-25(24)20-35)32-30(37)33-31-17-21-13-22(18-31)15-23(14-21)19-31/h1-2,5-8,16,21-23H,3-4,9-15,17-20H2,(H2,32,33,37)