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

Systemtic Name: N-[(2R)-1-[(4-dimethylaminophenyl)methylamino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1R)-1-[(4-dimethylaminophenyl)methylcarbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[(2R)-1-[(4-dimethylaminophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2R)-1-[(4-dimethylaminophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1R)-1-[[4-(dimethylamino)benzyl]carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C25H37N3O2 MolecularWeight: 411.58018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N3O2/c1-16(2)22(23(29)26-15-17-5-7-21(8-6-17)28(3)4)27-24(30)25-12-18-9-19(13-25)11-20(10-18)14-25/h5-8,16,18-20,22H,9-15H2,1-4H3,(H,26,29)(H,27,30)/t18?,19?,20?,22-,25?/m1/s1