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

Systemtic Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-4-(cyclopropylamino)-3-nitro-benzamide Openeye Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-4-(cyclopropylamino)-3-nitro-benzamide CAS Name: N-[2-(2-chlorophenyl)-2-(1-pyrrolidinyl)ethyl]-4-(cyclopropylamino)-3-nitrobenzamide IUPAC Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(cyclopropylamino)-3-nitrobenzamide Traditional Name: N-[2-(2-chlorophenyl)-2-pyrrolidino-ethyl]-4-(cyclopropylamino)-3-nitro-benzamide Formula: C22H25ClN4O3 MolecularWeight: 428.9119

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])C4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(C1)C(CNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])C4=CC=CC=C4Cl

InChI

InChI=1S/C22H25ClN4O3/c23-18-6-2-1-5-17(18)21(26-11-3-4-12-26)14-24-22(28)15-7-10-19(25-16-8-9-16)20(13-15)27(29)30/h1-2,5-7,10,13,16,21,25H,3-4,8-9,11-12,14H2,(H,24,28)