3-nitro-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-[1-(2-pyridyl)ethyl]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[1-(2-pyridinyl)ethyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-[1-(2-pyridyl)ethyl]-4-pyrrolidino-benzamide Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=N1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O3/c1-13(15-6-2-3-9-19-15)20-18(23)14-7-8-16(17(12-14)22(24)25)21-10-4-5-11-21/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,20,23)