N-[2-(3-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[2-(3-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[2-(3-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[2-(3-chlorophenyl)-2-(1-pyrrolidinyl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[2-(3-chlorophenyl)-2-pyrrolidino-ethyl]-4-(1,2,4-triazol-1-yl)benzamide Formula: C21H22ClN5O MolecularWeight: 395.88528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C2=CC=C(C=C2)N3C=NC=N3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)C(CNC(=O)C2=CC=C(C=C2)N3C=NC=N3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H22ClN5O/c22-18-5-3-4-17(12-18)20(26-10-1-2-11-26)13-24-21(28)16-6-8-19(9-7-16)27-15-23-14-25-27/h3-9,12,14-15,20H,1-2,10-11,13H2,(H,24,28)