7-chloranyl-N3-(6-chloranylpyridin-3-yl)-N6-phenethyl-1,2-benzoxazole-3,6-diamine

Systemtic Name: 7-chloranyl-N3-(6-chloranylpyridin-3-yl)-N6-phenethyl-1,2-benzoxazole-3,6-diamine Openeye Name: 7-chloro-N3-(6-chloro-3-pyridyl)-N6-phenethyl-1,2-benzoxazole-3,6-diamine CAS Name: 7-chloro-N3-(6-chloro-3-pyridinyl)-N6-phenethyl-1,2-benzoxazole-3,6-diamine IUPAC Name: 7-chloro-3-N-(6-chloropyridin-3-yl)-6-N-phenethyl-1,2-benzoxazole-3,6-diamine Traditional Name: [7-chloro-3-[(6-chloro-3-pyridyl)amino]indoxazen-6-yl]-phenethyl-amine Formula: C20H16Cl2N4O MolecularWeight: 399.27324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=C(C3=C(C=C2)C(=NO3)NC4=CN=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=C(C3=C(C=C2)C(=NO3)NC4=CN=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H16Cl2N4O/c21-17-9-6-14(12-24-17)25-20-15-7-8-16(18(22)19(15)27-26-20)23-11-10-13-4-2-1-3-5-13/h1-9,12,23H,10-11H2,(H,25,26)