(E)-3-(2-nitro-3-pyrrolidin-1-yl-phenyl)-1-(4-pentylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(2-nitro-3-pyrrolidin-1-yl-phenyl)-1-(4-pentylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(2-nitro-3-pyrrolidin-1-yl-phenyl)-1-(4-pentylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[2-nitro-3-(1-pyrrolidinyl)phenyl]-1-(4-pentyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(2-nitro-3-pyrrolidin-1-ylphenyl)-1-(4-pentylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-amylpiperazino)-3-(2-nitro-3-pyrrolidino-phenyl)prop-2-en-1-one Formula: C22H32N4O3 MolecularWeight: 400.51448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCN(CC1)C(=O)C=CC2=C(C(=CC=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCCN1CCN(CC1)C(=O)/C=C/C2=C(C(=CC=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H32N4O3/c1-2-3-4-12-23-15-17-25(18-16-23)21(27)11-10-19-8-7-9-20(22(19)26(28)29)24-13-5-6-14-24/h7-11H,2-6,12-18H2,1H3/b11-10+