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

Systemtic Name: 4-(cyclopropylamino)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[2-(2-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[2-(2-methoxyphenyl)-2-pyrrolidino-ethyl]-3-nitro-benzamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

COC1=CC=CC=C1C(CNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C23H28N4O4/c1-31-22-7-3-2-6-18(22)21(26-12-4-5-13-26)15-24-23(28)16-8-11-19(25-17-9-10-17)20(14-16)27(29)30/h2-3,6-8,11,14,17,21,25H,4-5,9-10,12-13,15H2,1H3,(H,24,28)