5-(1-adamantylcarbamoylamino)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 5-(1-adamantylcarbamoylamino)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-(1-adamantylcarbamoylamino)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[[(1-adamantylamino)-oxomethyl]amino]-N-[(4-fluorophenyl)methyl]-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-(1-adamantylcarbamoylamino)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-(1-adamantylcarbamoylamino)-N-(4-fluorobenzyl)-2-pyrrolidino-benzamide Formula: C29H35FN4O2 MolecularWeight: 490.612203

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)NCC6=CC=C(C=C6)F

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)NCC6=CC=C(C=C6)F

InChI

InChI=1S/C29H35FN4O2/c30-23-5-3-19(4-6-23)18-31-27(35)25-14-24(7-8-26(25)34-9-1-2-10-34)32-28(36)33-29-15-20-11-21(16-29)13-22(12-20)17-29/h3-8,14,20-22H,1-2,9-13,15-18H2,(H,31,35)(H2,32,33,36)