N-[(2S)-1-[(4-dimethylaminophenyl)methylamino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-[(4-dimethylaminophenyl)methylamino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-[(4-dimethylaminophenyl)methylamino]-1-methyl-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-[(4-dimethylaminophenyl)methylamino]-1-oxopropan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-[(4-dimethylaminophenyl)methylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-[[4-(dimethylamino)benzyl]amino]-2-keto-1-methyl-ethyl]adamantane-1-carboxamide Formula: C23H33N3O2 MolecularWeight: 383.52702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O2/c1-15(21(27)24-14-16-4-6-20(7-5-16)26(2)3)25-22(28)23-11-17-8-18(12-23)10-19(9-17)13-23/h4-7,15,17-19H,8-14H2,1-3H3,(H,24,27)(H,25,28)/t15-,17?,18?,19?,23?/m0/s1