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

Systemtic Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-3-methyl-butan-1-one CAS Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-3-methyl-1-butanone IUPAC Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-3-methylbutan-1-one Traditional Name: 1-[5-[[4-(dimethylamino)benzyl]amino]-3-phenyl-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O/c1-16(2)14-20(28)27-22(24-21(25-27)18-8-6-5-7-9-18)23-15-17-10-12-19(13-11-17)26(3)4/h5-13,16H,14-15H2,1-4H3,(H,23,24,25)