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

Systemtic Name: 2-[1-adamantylcarbamoyl(3-methoxypropyl)amino]-N-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]ethanamide Openeye Name: 2-[1-adamantylcarbamoyl(3-methoxypropyl)amino]-N-[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]acetamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]-(3-methoxypropyl)amino]-N-[5-tert-butyl-2-(3-methylphenyl)-3-pyrazolyl]acetamide IUPAC Name: 2-[1-adamantylcarbamoyl(3-methoxypropyl)amino]-N-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]acetamide Traditional Name: 2-[1-adamantylcarbamoyl(3-methoxypropyl)amino]-N-[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]acetamide Formula: C31H45N5O3 MolecularWeight: 535.7207

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CCCOC)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CCCOC)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C31H45N5O3/c1-21-8-6-9-25(12-21)36-27(16-26(34-36)30(2,3)4)32-28(37)20-35(10-7-11-39-5)29(38)33-31-17-22-13-23(18-31)15-24(14-22)19-31/h6,8-9,12,16,22-24H,7,10-11,13-15,17-20H2,1-5H3,(H,32,37)(H,33,38)