methyl N-[(E)-2-methyl-4-[5-(2-methylpropoxy)-4-[[5-(propanoylamino)-2-adamantyl]carbamoyl]pyrazol-1-yl]but-3-en-2-yl]carbamate

Systemtic Name: methyl N-[(E)-2-methyl-4-[5-(2-methylpropoxy)-4-[[5-(propanoylamino)-2-adamantyl]carbamoyl]pyrazol-1-yl]but-3-en-2-yl]carbamate Openeye Name: methyl N-[(E)-3-[5-isobutoxy-4-[[5-(propanoylamino)-2-adamantyl]carbamoyl]pyrazol-1-yl]-1,1-dimethyl-allyl]carbamate CAS Name: N-[(E)-2-methyl-4-[5-(2-methylpropoxy)-4-[oxo-[[5-(1-oxopropylamino)-2-adamantyl]amino]methyl]-1-pyrazolyl]but-3-en-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[(E)-2-methyl-4-[5-(2-methylpropoxy)-4-[[5-(propanoylamino)-2-adamantyl]carbamoyl]pyrazol-1-yl]but-3-en-2-yl]carbamate Traditional Name: N-[(E)-3-[5-isobutoxy-4-[(5-propionamido-2-adamantyl)carbamoyl]pyrazol-1-yl]-1,1-dimethyl-allyl]carbamic acid methyl ester Formula: C28H43N5O5 MolecularWeight: 529.67152

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC12CC3CC(C1)C(C(C3)C2)NC(=O)C4=C(N(N=C4)C=CC(C)(C)NC(=O)OC)OCC(C)C

Isomeric SMILES

CCC(=O)NC12CC3CC(C1)C(C(C3)C2)NC(=O)C4=C(N(N=C4)/C=C/C(C)(C)NC(=O)OC)OCC(C)C

InChI

InChI=1S/C28H43N5O5/c1-7-22(34)31-28-12-18-10-19(13-28)23(20(11-18)14-28)30-24(35)21-15-29-33(25(21)38-16-17(2)3)9-8-27(4,5)32-26(36)37-6/h8-9,15,17-20,23H,7,10-14,16H2,1-6H3,(H,30,35)(H,31,34)(H,32,36)/b9-8+