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

Systemtic Name: N-[2-(3-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[2-(3-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[2-(3-chlorophenyl)-2-(1-pyrrolidinyl)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[2-(3-chlorophenyl)-2-pyrrolidino-ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C21H21ClN6O3 MolecularWeight: 440.88284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)C(CNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H21ClN6O3/c22-17-5-3-4-15(10-17)20(26-8-1-2-9-26)12-24-21(29)16-6-7-18(19(11-16)28(30)31)27-14-23-13-25-27/h3-7,10-11,13-14,20H,1-2,8-9,12H2,(H,24,29)