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

Systemtic Name: 6-chloranyl-3-[(4-pentylphenyl)amino]-N-pyrimidin-5-yl-1,2-benzoxazole-7-carboxamide Openeye Name: 6-chloro-3-(4-pentylanilino)-N-pyrimidin-5-yl-1,2-benzoxazole-7-carboxamide CAS Name: 6-chloro-3-(4-pentylanilino)-N-(5-pyrimidinyl)-1,2-benzoxazole-7-carboxamide IUPAC Name: 6-chloro-3-(4-pentylanilino)-N-pyrimidin-5-yl-1,2-benzoxazole-7-carboxamide Traditional Name: 3-(4-amylanilino)-6-chloro-N-(5-pyrimidyl)indoxazene-7-carboxamide Formula: C23H22ClN5O2 MolecularWeight: 435.90608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC2=NOC3=C2C=CC(=C3C(=O)NC4=CN=CN=C4)Cl

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC2=NOC3=C2C=CC(=C3C(=O)NC4=CN=CN=C4)Cl

InChI

InChI=1S/C23H22ClN5O2/c1-2-3-4-5-15-6-8-16(9-7-15)27-22-18-10-11-19(24)20(21(18)31-29-22)23(30)28-17-12-25-14-26-13-17/h6-14H,2-5H2,1H3,(H,27,29)(H,28,30)