2-[3-[5-chloranyl-2-(methylamino)phenyl]-5-phenyl-1,2,4-triazol-4-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[3-[5-chloranyl-2-(methylamino)phenyl]-5-phenyl-1,2,4-triazol-4-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[3-[5-chloro-2-(methylamino)phenyl]-5-phenyl-1,2,4-triazol-4-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[3-[5-chloro-2-(methylamino)phenyl]-5-phenyl-1,2,4-triazol-4-yl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[3-[5-chloro-2-(methylamino)phenyl]-5-phenyl-1,2,4-triazol-4-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[3-[5-chloro-2-(methylamino)phenyl]-5-phenyl-1,2,4-triazol-4-yl]-1-pyrrolidino-ethanone Formula: C21H22ClN5O MolecularWeight: 395.88528

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)Cl)C2=NN=C(N2CC(=O)N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CNC1=C(C=C(C=C1)Cl)C2=NN=C(N2CC(=O)N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H22ClN5O/c1-23-18-10-9-16(22)13-17(18)21-25-24-20(15-7-3-2-4-8-15)27(21)14-19(28)26-11-5-6-12-26/h2-4,7-10,13,23H,5-6,11-12,14H2,1H3