2-[1-adamantylcarbamoyl(2-dimethylaminoethyl)amino]-N-[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]ethanamide

Systemtic Name: 2-[1-adamantylcarbamoyl(2-dimethylaminoethyl)amino]-N-[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]ethanamide Openeye Name: 2-[1-adamantylcarbamoyl(2-dimethylaminoethyl)amino]-N-[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]acetamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]-(2-dimethylaminoethyl)amino]-N-[5-tert-butyl-2-(2-methylphenyl)-3-pyrazolyl]acetamide IUPAC Name: 2-[1-adamantylcarbamoyl(2-dimethylaminoethyl)amino]-N-[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]acetamide Traditional Name: 2-[1-adamantylcarbamoyl(2-dimethylaminoethyl)amino]-N-[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]acetamide Formula: C31H46N6O2 MolecularWeight: 534.73594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CCN(C)C)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CCN(C)C)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C31H46N6O2/c1-21-9-7-8-10-25(21)37-27(16-26(34-37)30(2,3)4)32-28(38)20-36(12-11-35(5)6)29(39)33-31-17-22-13-23(18-31)15-24(14-22)19-31/h7-10,16,22-24H,11-15,17-20H2,1-6H3,(H,32,38)(H,33,39)