1-[3-(4-chlorophenyl)-5-(furan-2-ylmethylamino)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[3-(4-chlorophenyl)-5-(furan-2-ylmethylamino)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[3-(4-chlorophenyl)-5-(2-furylmethylamino)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[3-(4-chlorophenyl)-5-(2-furanylmethylamino)-1,2,4-triazol-1-yl]-3-phenyl-1-propanone IUPAC Name: 1-[3-(4-chlorophenyl)-5-(furan-2-ylmethylamino)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[3-(4-chlorophenyl)-5-(2-furfurylamino)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one Formula: C22H19ClN4O2 MolecularWeight: 406.86486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)N2C(=NC(=N2)C3=CC=C(C=C3)Cl)NCC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N2C(=NC(=N2)C3=CC=C(C=C3)Cl)NCC4=CC=CO4

InChI

InChI=1S/C22H19ClN4O2/c23-18-11-9-17(10-12-18)21-25-22(24-15-19-7-4-14-29-19)27(26-21)20(28)13-8-16-5-2-1-3-6-16/h1-7,9-12,14H,8,13,15H2,(H,24,25,26)