4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one

Systemtic Name: 4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one Openeye Name: 4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one CAS Name: 4-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]-3-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-2-piperazinone IUPAC Name: 4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one Traditional Name: 3-[2-keto-2-(4-phenylpiperazino)ethyl]-4-[(E)-3-(3-nitrophenyl)acryloyl]piperazin-2-one Formula: C25H27N5O5 MolecularWeight: 477.51238

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)N2CCN(CC2)C3=CC=CC=C3)C(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)N2CCN(CC2)C3=CC=CC=C3)C(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O5/c31-23(10-9-19-5-4-8-21(17-19)30(34)35)29-12-11-26-25(33)22(29)18-24(32)28-15-13-27(14-16-28)20-6-2-1-3-7-20/h1-10,17,22H,11-16,18H2,(H,26,33)/b10-9+