3-[(4-butylphenyl)amino]-6-chloranyl-N-pyrimidin-5-yl-1,2-benzoxazole-7-carboxamide

Systemtic Name: 3-[(4-butylphenyl)amino]-6-chloranyl-N-pyrimidin-5-yl-1,2-benzoxazole-7-carboxamide Openeye Name: 3-(4-butylanilino)-6-chloro-N-pyrimidin-5-yl-1,2-benzoxazole-7-carboxamide CAS Name: 3-(4-butylanilino)-6-chloro-N-(5-pyrimidinyl)-1,2-benzoxazole-7-carboxamide IUPAC Name: 3-(4-butylanilino)-6-chloro-N-pyrimidin-5-yl-1,2-benzoxazole-7-carboxamide Traditional Name: 3-(4-butylanilino)-6-chloro-N-(5-pyrimidyl)indoxazene-7-carboxamide Formula: C22H20ClN5O2 MolecularWeight: 421.8795

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NOC3=C2C=CC(=C3C(=O)NC4=CN=CN=C4)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NOC3=C2C=CC(=C3C(=O)NC4=CN=CN=C4)Cl

InChI

InChI=1S/C22H20ClN5O2/c1-2-3-4-14-5-7-15(8-6-14)26-21-17-9-10-18(23)19(20(17)30-28-21)22(29)27-16-11-24-13-25-12-16/h5-13H,2-4H2,1H3,(H,26,28)(H,27,29)