N,N-dimethyl-4-[3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazol-5-yl]aniline

Systemtic Name: N,N-dimethyl-4-[3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazol-5-yl]aniline Openeye Name: N,N-dimethyl-4-[3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazol-5-yl]aniline CAS Name: N,N-dimethyl-4-[3-[3-(1-pyrrolidinylmethyl)phenyl]-1H-1,2,4-triazol-5-yl]aniline IUPAC Name: N,N-dimethyl-4-[3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazol-5-yl]aniline Traditional Name: dimethyl-[4-[3-[3-(pyrrolidinomethyl)phenyl]-1H-1,2,4-triazol-5-yl]phenyl]amine Formula: C21H25N5 MolecularWeight: 347.4567

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=NC(=NN2)C3=CC(=CC=C3)CN4CCCC4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=NC(=NN2)C3=CC(=CC=C3)CN4CCCC4

InChI

InChI=1S/C21H25N5/c1-25(2)19-10-8-17(9-11-19)20-22-21(24-23-20)18-7-5-6-16(14-18)15-26-12-3-4-13-26/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,22,23,24)