N-[4-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]carbonylphenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]carbonylphenyl]adamantane-1-carboxamide Openeye Name: N-[4-[4-[(5-methylisoxazol-3-yl)methyl]piperazine-1-carbonyl]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[[4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazinyl]-oxomethyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carbonyl]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[4-[(5-methylisoxazol-3-yl)methyl]piperazine-1-carbonyl]phenyl]adamantane-1-carboxamide Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC(=NO1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H34N4O3/c1-18-10-24(29-34-18)17-30-6-8-31(9-7-30)25(32)22-2-4-23(5-3-22)28-26(33)27-14-19-11-20(15-27)13-21(12-19)16-27/h2-5,10,19-21H,6-9,11-17H2,1H3,(H,28,33)