(E)-N-(3-nitro-4-piperazin-1-yl-phenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

Systemtic Name: (E)-N-(3-nitro-4-piperazin-1-yl-phenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: (E)-3-(4-isopropylphenyl)-N-(3-nitro-4-piperazin-1-yl-phenyl)prop-2-enamide CAS Name: (E)-N-[3-nitro-4-(1-piperazinyl)phenyl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: (E)-N-(3-nitro-4-piperazin-1-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: (E)-N-(3-nitro-4-piperazino-phenyl)-3-p-cumenyl-acrylamide Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)NC2=CC(=C(C=C2)N3CCNCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/C(=O)NC2=CC(=C(C=C2)N3CCNCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O3/c1-16(2)18-6-3-17(4-7-18)5-10-22(27)24-19-8-9-20(21(15-19)26(28)29)25-13-11-23-12-14-25/h3-10,15-16,23H,11-14H2,1-2H3,(H,24,27)/b10-5+