N-[3-methyl-1-oxidanylidene-1-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-methyl-1-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-oxo-1-[[2-(1-pyrazolylmethyl)phenyl]methylamino]butan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-1-oxo-1-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]butan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-methyl-1-[[2-(pyrazol-1-ylmethyl)benzyl]carbamoyl]propyl]adamantane-1-carboxamide Formula: C27H36N4O2 MolecularWeight: 448.60034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=CC=C1CN2C=CC=N2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C(C(=O)NCC1=CC=CC=C1CN2C=CC=N2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H36N4O2/c1-18(2)24(30-26(33)27-13-19-10-20(14-27)12-21(11-19)15-27)25(32)28-16-22-6-3-4-7-23(22)17-31-9-5-8-29-31/h3-9,18-21,24H,10-17H2,1-2H3,(H,28,32)(H,30,33)