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

Systemtic Name: N-[2-(3-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[2-(3-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-3-methyl-4-nitro-benzamide CAS Name: N-[2-(3-chlorophenyl)-2-(1-pyrrolidinyl)ethyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[2-(3-chlorophenyl)-2-pyrrolidino-ethyl]-3-methyl-4-nitro-benzamide Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC(C2=CC(=CC=C2)Cl)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC(C2=CC(=CC=C2)Cl)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O3/c1-14-11-16(7-8-18(14)24(26)27)20(25)22-13-19(23-9-2-3-10-23)15-5-4-6-17(21)12-15/h4-8,11-12,19H,2-3,9-10,13H2,1H3,(H,22,25)