N-[[4-[[1-(phenylmethyl)pyrrolidin-3-yl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[[1-(phenylmethyl)pyrrolidin-3-yl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[(1-benzylpyrrolidin-3-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[oxo-[[1-(phenylmethyl)-3-pyrrolidinyl]amino]methyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[(1-benzylpyrrolidin-3-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[(1-benzylpyrrolidin-3-yl)carbamoyl]benzyl]adamantane-1-carboxamide Formula: C30H37N3O2 MolecularWeight: 471.63368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC=CC=C6

Isomeric SMILES

C1CN(CC1NC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC=CC=C6

InChI

InChI=1S/C30H37N3O2/c34-28(32-27-10-11-33(20-27)19-22-4-2-1-3-5-22)26-8-6-21(7-9-26)18-31-29(35)30-15-23-12-24(16-30)14-25(13-23)17-30/h1-9,23-25,27H,10-20H2,(H,31,35)(H,32,34)