N-(2-methyl-3-nitro-phenyl)-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]propanamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]propanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-3-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]propanamide CAS Name: N-(2-methyl-3-nitrophenyl)-3-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]propanamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide Traditional Name: 3-[4-(2-keto-2-pyrrolidino-ethyl)piperazino]-N-(2-methyl-3-nitro-phenyl)propionamide Formula: C20H29N5O4 MolecularWeight: 403.47536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCN(CC2)CC(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCN(CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C20H29N5O4/c1-16-17(5-4-6-18(16)25(28)29)21-19(26)7-10-22-11-13-23(14-12-22)15-20(27)24-8-2-3-9-24/h4-6H,2-3,7-15H2,1H3,(H,21,26)