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

Systemtic Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-2-methyl-propan-1-one CAS Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-2-methyl-1-propanone IUPAC Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-2-methylpropan-1-one Traditional Name: 1-[5-[[4-(dimethylamino)benzyl]amino]-3-phenyl-1,2,4-triazol-1-yl]-2-methyl-propan-1-one Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O/c1-15(2)20(27)26-21(23-19(24-26)17-8-6-5-7-9-17)22-14-16-10-12-18(13-11-16)25(3)4/h5-13,15H,14H2,1-4H3,(H,22,23,24)