[5-azanyl-3-[(3-phenylmethoxyphenyl)amino]-1,2,4-triazol-1-yl]-(4-propan-2-yloxyphenyl)methanone

Systemtic Name: [5-azanyl-3-[(3-phenylmethoxyphenyl)amino]-1,2,4-triazol-1-yl]-(4-propan-2-yloxyphenyl)methanone Openeye Name: [5-amino-3-(3-benzyloxyanilino)-1,2,4-triazol-1-yl]-(4-isopropoxyphenyl)methanone CAS Name: [5-amino-3-(3-phenylmethoxyanilino)-1,2,4-triazol-1-yl]-(4-propan-2-yloxyphenyl)methanone IUPAC Name: [5-amino-3-(3-phenylmethoxyanilino)-1,2,4-triazol-1-yl]-(4-propan-2-yloxyphenyl)methanone Traditional Name: [5-amino-3-(3-benzoxyanilino)-1,2,4-triazol-1-yl]-(4-isopropoxyphenyl)methanone Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)NC3=CC(=CC=C3)OCC4=CC=CC=C4)N

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)NC3=CC(=CC=C3)OCC4=CC=CC=C4)N

InChI

InChI=1S/C25H25N5O3/c1-17(2)33-21-13-11-19(12-14-21)23(31)30-24(26)28-25(29-30)27-20-9-6-10-22(15-20)32-16-18-7-4-3-5-8-18/h3-15,17H,16H2,1-2H3,(H3,26,27,28,29)