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

Systemtic Name: [4-[[1-[(E)-4-(ethylamino)-3,3-dimethyl-4-oxidanylidene-but-1-enyl]-5-(2-methylpropoxy)pyrazol-4-yl]carbonylamino]-1-adamantyl] carbamate Openeye Name: [4-[[1-[(E)-4-(ethylamino)-3,3-dimethyl-4-oxo-but-1-enyl]-5-isobutoxy-pyrazole-4-carbonyl]amino]-1-adamantyl] carbamate CAS Name: carbamic acid [4-[[[1-[(E)-4-(ethylamino)-3,3-dimethyl-4-oxobut-1-enyl]-5-(2-methylpropoxy)-4-pyrazolyl]-oxomethyl]amino]-1-adamantyl] ester IUPAC Name: [4-[[1-[(E)-4-(ethylamino)-3,3-dimethyl-4-oxobut-1-enyl]-5-(2-methylpropoxy)pyrazole-4-carbonyl]amino]-1-adamantyl] carbamate Traditional Name: carbamic acid [4-[[1-[(E)-4-(ethylamino)-4-keto-3,3-dimethyl-but-1-enyl]-5-isobutoxy-pyrazole-4-carbonyl]amino]-1-adamantyl] ester Formula: C27H41N5O5 MolecularWeight: 515.64494

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)(C)C=CN1C(=C(C=N1)C(=O)NC2C3CC4CC2CC(C4)(C3)OC(=O)N)OCC(C)C

Isomeric SMILES

CCNC(=O)C(C)(C)/C=C/N1C(=C(C=N1)C(=O)NC2C3CC4CC2CC(C4)(C3)OC(=O)N)OCC(C)C

InChI

InChI=1S/C27H41N5O5/c1-6-29-24(34)26(4,5)7-8-32-23(36-15-16(2)3)20(14-30-32)22(33)31-21-18-9-17-10-19(21)13-27(11-17,12-18)37-25(28)35/h7-8,14,16-19,21H,6,9-13,15H2,1-5H3,(H2,28,35)(H,29,34)(H,31,33)/b8-7+