2-[5-(4-chloranyl-3-methyl-phenyl)-1,3-benzoxazol-2-yl]-N1-propyl-benzene-1,4-diamine

Systemtic Name: 2-[5-(4-chloranyl-3-methyl-phenyl)-1,3-benzoxazol-2-yl]-N1-propyl-benzene-1,4-diamine Openeye Name: 2-[5-(4-chloro-3-methyl-phenyl)-1,3-benzoxazol-2-yl]-N1-propyl-benzene-1,4-diamine CAS Name: 2-[5-(4-chloro-3-methylphenyl)-1,3-benzoxazol-2-yl]-N1-propylbenzene-1,4-diamine IUPAC Name: 2-[5-(4-chloro-3-methylphenyl)-1,3-benzoxazol-2-yl]-1-N-propylbenzene-1,4-diamine Traditional Name: [4-amino-2-[5-(4-chloro-3-methyl-phenyl)-1,3-benzoxazol-2-yl]phenyl]-propyl-amine Formula: C23H22ClN3O MolecularWeight: 391.89328

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1)N)C2=NC3=C(O2)C=CC(=C3)C4=CC(=C(C=C4)Cl)C

Isomeric SMILES

CCCNC1=C(C=C(C=C1)N)C2=NC3=C(O2)C=CC(=C3)C4=CC(=C(C=C4)Cl)C

InChI

InChI=1S/C23H22ClN3O/c1-3-10-26-20-8-6-17(25)13-18(20)23-27-21-12-16(5-9-22(21)28-23)15-4-7-19(24)14(2)11-15/h4-9,11-13,26H,3,10,25H2,1-2H3