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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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