N-[3-methyl-1-oxidanylidene-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]amino]butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]amino]butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-methyl-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]carbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-oxo-1-[3-(1-pyrrolidinylmethyl)anilino]butan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-1-oxo-1-[3-(pyrrolidin-1-ylmethyl)anilino]butan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-methyl-1-[[3-(pyrrolidinomethyl)phenyl]carbamoyl]propyl]adamantane-1-carboxamide Formula: C27H39N3O2 MolecularWeight: 437.61746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC(=C1)CN2CCCC2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C(C(=O)NC1=CC=CC(=C1)CN2CCCC2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H39N3O2/c1-18(2)24(29-26(32)27-14-20-10-21(15-27)12-22(11-20)16-27)25(31)28-23-7-5-6-19(13-23)17-30-8-3-4-9-30/h5-7,13,18,20-22,24H,3-4,8-12,14-17H2,1-2H3,(H,28,31)(H,29,32)