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

Systemtic Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one CAS Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-3-methyl-1-butanone IUPAC Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-3-methylbutan-1-one Traditional Name: 1-[5-[[4-(dimethylamino)benzyl]amino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Formula: C23H29N5O2 MolecularWeight: 407.50866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O2/c1-16(2)14-21(29)28-23(24-15-17-6-10-19(11-7-17)27(3)4)25-22(26-28)18-8-12-20(30-5)13-9-18/h6-13,16H,14-15H2,1-5H3,(H,24,25,26)