3-[(4-tert-butylphenyl)carbonylamino]-N-[2-(1H-imidazol-2-yl)ethyl]pyrazine-2-carboxamide hydrochloride

Systemtic Name: 3-[(4-tert-butylphenyl)carbonylamino]-N-[2-(1H-imidazol-2-yl)ethyl]pyrazine-2-carboxamide hydrochloride Openeye Name: 3-[(4-tert-butylbenzoyl)amino]-N-[2-(1H-imidazol-2-yl)ethyl]pyrazine-2-carboxamide hydrochloride CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]amino]-N-[2-(1H-imidazol-2-yl)ethyl]-2-pyrazinecarboxamide hydrochloride IUPAC Name: 3-[(4-tert-butylbenzoyl)amino]-N-[2-(1H-imidazol-2-yl)ethyl]pyrazine-2-carboxamide hydrochloride Traditional Name: 3-[(4-tert-butylbenzoyl)amino]-N-[2-(1H-imidazol-2-yl)ethyl]pyrazinamide hydrochloride Formula: C21H25ClN6O2 MolecularWeight: 428.9152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NC=CN=C2C(=O)NCCC3=NC=CN3.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NC=CN=C2C(=O)NCCC3=NC=CN3.Cl

InChI

InChI=1S/C21H24N6O2.ClH/c1-21(2,3)15-6-4-14(5-7-15)19(28)27-18-17(24-12-13-25-18)20(29)26-9-8-16-22-10-11-23-16;/h4-7,10-13H,8-9H2,1-3H3,(H,22,23)(H,26,29)(H,25,27,28);1H