N,N-dimethyl-4-[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperazine-1-carboxamide

Systemtic Name: N,N-dimethyl-4-[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperazine-1-carboxamide Openeye Name: N,N-dimethyl-4-[2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl]piperazine-1-carboxamide CAS Name: N,N-dimethyl-4-[2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl]-1-piperazinecarboxamide IUPAC Name: N,N-dimethyl-4-[2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl]piperazine-1-carboxamide Traditional Name: 4-[2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl]-N,N-dimethyl-piperazine-1-carboxamide Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)C(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)C(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O4/c1-16-9-10-18(19(15-16)27(30)31)23-21(28)20(17-7-5-4-6-8-17)25-11-13-26(14-12-25)22(29)24(2)3/h4-10,15,20H,11-14H2,1-3H3,(H,23,28)