3-nitro-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: 3-nitro-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: 3-nitro-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)-4-(1,2,4-triazol-1-yl)benzamide CAS Name: 3-nitro-N-[2-phenyl-2-(1-pyrrolidinyl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: 3-nitro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: 3-nitro-N-(2-phenyl-2-pyrrolidino-ethyl)-4-(1,2,4-triazol-1-yl)benzamide Formula: C21H22N6O3 MolecularWeight: 406.43778

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O3/c28-21(17-8-9-18(19(12-17)27(29)30)26-15-22-14-24-26)23-13-20(25-10-4-5-11-25)16-6-2-1-3-7-16/h1-3,6-9,12,14-15,20H,4-5,10-11,13H2,(H,23,28)