N-[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide

Systemtic Name: N-[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide Openeye Name: N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-(p-tolyl)-2,1-benzoxazole-5-carboxamide CAS Name: N-[3-chloro-4-(4-ethyl-1-piperazinyl)phenyl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide IUPAC Name: N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide Traditional Name: N-[3-chloro-4-(4-ethylpiperazino)phenyl]-3-(p-tolyl)anthranil-5-carboxamide Formula: C27H27ClN4O2 MolecularWeight: 474.98188

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC4=C(ON=C4C=C3)C5=CC=C(C=C5)C)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC4=C(ON=C4C=C3)C5=CC=C(C=C5)C)Cl

InChI

InChI=1S/C27H27ClN4O2/c1-3-31-12-14-32(15-13-31)25-11-9-21(17-23(25)28)29-27(33)20-8-10-24-22(16-20)26(34-30-24)19-6-4-18(2)5-7-19/h4-11,16-17H,3,12-15H2,1-2H3,(H,29,33)