1-[5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]propan-1-one

Systemtic Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]propan-1-one CAS Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 1-[5-[[4-(dimethylamino)benzyl]amino]-3-phenyl-1,2,4-triazol-1-yl]propan-1-one Formula: C20H23N5O MolecularWeight: 349.42952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(=NC(=N1)C2=CC=CC=C2)NCC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCC(=O)N1C(=NC(=N1)C2=CC=CC=C2)NCC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C20H23N5O/c1-4-18(26)25-20(22-19(23-25)16-8-6-5-7-9-16)21-14-15-10-12-17(13-11-15)24(2)3/h5-13H,4,14H2,1-3H3,(H,21,22,23)