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

Systemtic Name: 1-(1-adamantyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-1-ylcarbonyl-phenyl]urea Openeye Name: 1-(1-adamantyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(piperidine-1-carbonyl)phenyl]urea CAS Name: 1-(1-adamantyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo(1-piperidinyl)methyl]phenyl]urea IUPAC Name: 1-(1-adamantyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(piperidine-1-carbonyl)phenyl]urea Traditional Name: 1-(1-adamantyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(piperidine-1-carbonyl)phenyl]urea Formula: C32H40N4O2 MolecularWeight: 512.6856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4)N6CCC7=CC=CC=C7C6

Isomeric SMILES

C1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4)N6CCC7=CC=CC=C7C6

InChI

InChI=1S/C32H40N4O2/c37-30(35-11-4-1-5-12-35)28-17-27(8-9-29(28)36-13-10-25-6-2-3-7-26(25)21-36)33-31(38)34-32-18-22-14-23(19-32)16-24(15-22)20-32/h2-3,6-9,17,22-24H,1,4-5,10-16,18-21H2,(H2,33,34,38)