3-[(3-tert-butylphenyl)amino]-6-chloranyl-N-pyrimidin-5-yl-1,2-benzoxazole-7-carboxamide

Systemtic Name: 3-[(3-tert-butylphenyl)amino]-6-chloranyl-N-pyrimidin-5-yl-1,2-benzoxazole-7-carboxamide Openeye Name: 3-(3-tert-butylanilino)-6-chloro-N-pyrimidin-5-yl-1,2-benzoxazole-7-carboxamide CAS Name: 3-(3-tert-butylanilino)-6-chloro-N-(5-pyrimidinyl)-1,2-benzoxazole-7-carboxamide IUPAC Name: 3-(3-tert-butylanilino)-6-chloro-N-pyrimidin-5-yl-1,2-benzoxazole-7-carboxamide Traditional Name: 3-(3-tert-butylanilino)-6-chloro-N-(5-pyrimidyl)indoxazene-7-carboxamide Formula: C22H20ClN5O2 MolecularWeight: 421.8795

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC=C1)NC2=NOC3=C2C=CC(=C3C(=O)NC4=CN=CN=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC=C1)NC2=NOC3=C2C=CC(=C3C(=O)NC4=CN=CN=C4)Cl

InChI

InChI=1S/C22H20ClN5O2/c1-22(2,3)13-5-4-6-14(9-13)26-20-16-7-8-17(23)18(19(16)30-28-20)21(29)27-15-10-24-12-25-11-15/h4-12H,1-3H3,(H,26,28)(H,27,29)