[4-[[1-[(E)-4-(aminocarbonylamino)-3,3-dimethyl-4-oxidanylidene-but-1-enyl]-5-(2-methylpropoxy)pyrazol-4-yl]carbonylamino]-1-adamantyl] carbamate

Systemtic Name: [4-[[1-[(E)-4-(aminocarbonylamino)-3,3-dimethyl-4-oxidanylidene-but-1-enyl]-5-(2-methylpropoxy)pyrazol-4-yl]carbonylamino]-1-adamantyl] carbamate Openeye Name: [4-[[1-[(E)-3,3-dimethyl-4-oxo-4-ureido-but-1-enyl]-5-isobutoxy-pyrazole-4-carbonyl]amino]-1-adamantyl] carbamate CAS Name: carbamic acid [4-[[[1-[(E)-4-(carbamoylamino)-3,3-dimethyl-4-oxobut-1-enyl]-5-(2-methylpropoxy)-4-pyrazolyl]-oxomethyl]amino]-1-adamantyl] ester IUPAC Name: [4-[[1-[(E)-4-(carbamoylamino)-3,3-dimethyl-4-oxobut-1-enyl]-5-(2-methylpropoxy)pyrazole-4-carbonyl]amino]-1-adamantyl] carbamate Traditional Name: carbamic acid [4-[[5-isobutoxy-1-[(E)-4-keto-3,3-dimethyl-4-ureido-but-1-enyl]pyrazole-4-carbonyl]amino]-1-adamantyl] ester Formula: C26H38N6O6 MolecularWeight: 530.61652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=NN1C=CC(C)(C)C(=O)NC(=O)N)C(=O)NC2C3CC4CC2CC(C4)(C3)OC(=O)N

Isomeric SMILES

CC(C)COC1=C(C=NN1/C=C/C(C)(C)C(=O)NC(=O)N)C(=O)NC2C3CC4CC2CC(C4)(C3)OC(=O)N

InChI

InChI=1S/C26H38N6O6/c1-14(2)13-37-21-18(12-29-32(21)6-5-25(3,4)22(34)31-23(27)35)20(33)30-19-16-7-15-8-17(19)11-26(9-15,10-16)38-24(28)36/h5-6,12,14-17,19H,7-11,13H2,1-4H3,(H2,28,36)(H,30,33)(H3,27,31,34,35)/b6-5+