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

Systemtic Name: N-[(2R)-1-[[4-(cyanomethyl)phenyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1R)-1-[[4-(cyanomethyl)phenyl]carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[(2R)-1-[4-(cyanomethyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2R)-1-[4-(cyanomethyl)anilino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1R)-1-[[4-(cyanomethyl)phenyl]carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C24H31N3O2 MolecularWeight: 393.52184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)CC#N)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)[C@H](C(=O)NC1=CC=C(C=C1)CC#N)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H31N3O2/c1-15(2)21(22(28)26-20-5-3-16(4-6-20)7-8-25)27-23(29)24-12-17-9-18(13-24)11-19(10-17)14-24/h3-6,15,17-19,21H,7,9-14H2,1-2H3,(H,26,28)(H,27,29)/t17?,18?,19?,21-,24?/m1/s1