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

Systemtic Name: N-[3-methyl-1-[[3-(2-methylpyrimidin-4-yl)phenyl]amino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-methyl-1-[[3-(2-methylpyrimidin-4-yl)phenyl]carbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-[3-(2-methyl-4-pyrimidinyl)anilino]-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-1-[3-(2-methylpyrimidin-4-yl)anilino]-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-methyl-1-[[3-(2-methylpyrimidin-4-yl)phenyl]carbamoyl]propyl]adamantane-1-carboxamide Formula: C27H34N4O2 MolecularWeight: 446.58446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C(C(C)C)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C(C(C)C)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H34N4O2/c1-16(2)24(31-26(33)27-13-18-9-19(14-27)11-20(10-18)15-27)25(32)30-22-6-4-5-21(12-22)23-7-8-28-17(3)29-23/h4-8,12,16,18-20,24H,9-11,13-15H2,1-3H3,(H,30,32)(H,31,33)