N-[2-[[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-N-(2-dimethylaminoethyl)adamantane-1-carboxamide

Systemtic Name: N-[2-[[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-N-(2-dimethylaminoethyl)adamantane-1-carboxamide Openeye Name: N-[2-[[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]amino]-2-oxo-ethyl]-N-(2-dimethylaminoethyl)adamantane-1-carboxamide CAS Name: N-[2-[[5-tert-butyl-2-(2-methylphenyl)-3-pyrazolyl]amino]-2-oxoethyl]-N-(2-dimethylaminoethyl)-1-adamantanecarboxamide IUPAC Name: N-[2-[[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-(2-dimethylaminoethyl)adamantane-1-carboxamide Traditional Name: N-[2-[[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]amino]-2-keto-ethyl]-N-(2-dimethylaminoethyl)adamantane-1-carboxamide Formula: C31H45N5O2 MolecularWeight: 519.7213

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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)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CCN(C)C)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C31H45N5O2/c1-21-9-7-8-10-25(21)36-27(16-26(33-36)30(2,3)4)32-28(37)20-35(12-11-34(5)6)29(38)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,32,37)