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

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-2-[4-(2-oxidanylidene-2-phenylazanyl-ethyl)piperazin-1-yl]propanamide Openeye Name: 2-[4-(2-anilino-2-oxo-ethyl)piperazin-1-yl]-N-(4-methyl-3-nitro-phenyl)propanamide CAS Name: 2-[4-(2-anilino-2-oxoethyl)-1-piperazinyl]-N-(4-methyl-3-nitrophenyl)propanamide IUPAC Name: 2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(4-methyl-3-nitrophenyl)propanamide Traditional Name: 2-[4-(2-anilino-2-keto-ethyl)piperazino]-N-(4-methyl-3-nitro-phenyl)propionamide Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)N2CCN(CC2)CC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)N2CCN(CC2)CC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O4/c1-16-8-9-19(14-20(16)27(30)31)24-22(29)17(2)26-12-10-25(11-13-26)15-21(28)23-18-6-4-3-5-7-18/h3-9,14,17H,10-13,15H2,1-2H3,(H,23,28)(H,24,29)