N-[3-methyl-1-oxidanylidene-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-methyl-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylcarbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-oxo-1-[[4-(1-pyrrolidinylmethyl)phenyl]methylamino]butan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-1-oxo-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]butan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-methyl-1-[[4-(pyrrolidinomethyl)benzyl]carbamoyl]propyl]adamantane-1-carboxamide Formula: C28H41N3O2 MolecularWeight: 451.64404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(C=C1)CN2CCCC2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C(C(=O)NCC1=CC=C(C=C1)CN2CCCC2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H41N3O2/c1-19(2)25(30-27(33)28-14-22-11-23(15-28)13-24(12-22)16-28)26(32)29-17-20-5-7-21(8-6-20)18-31-9-3-4-10-31/h5-8,19,22-25H,3-4,9-18H2,1-2H3,(H,29,32)(H,30,33)