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

Systemtic Name: N-[(2R)-1-[[4-(dimethylaminomethyl)phenyl]methylamino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1R)-1-[[4-(dimethylaminomethyl)phenyl]methylcarbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[(2R)-1-[[4-(dimethylaminomethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2R)-1-[[4-(dimethylaminomethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1R)-1-[[4-(dimethylaminomethyl)benzyl]carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C26H39N3O2 MolecularWeight: 425.60676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(C=C1)CN(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)[C@H](C(=O)NCC1=CC=C(C=C1)CN(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H39N3O2/c1-17(2)23(24(30)27-15-18-5-7-19(8-6-18)16-29(3)4)28-25(31)26-12-20-9-21(13-26)11-22(10-20)14-26/h5-8,17,20-23H,9-16H2,1-4H3,(H,27,30)(H,28,31)/t20?,21?,22?,23-,26?/m1/s1