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

Systemtic Name: (E)-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)-1-(4-pyrrolidin-1-yl-1-piperidyl)prop-2-en-1-one CAS Name: (E)-3-[3-nitro-4-(1-pyrrolidinyl)phenyl]-1-[4-(1-pyrrolidinyl)-1-piperidinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-nitro-4-pyrrolidin-1-ylphenyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-nitro-4-pyrrolidino-phenyl)-1-(4-pyrrolidinopiperidino)prop-2-en-1-one Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCN(CC2)C(=O)C=CC3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H30N4O3/c27-22(25-15-9-19(10-16-25)23-11-1-2-12-23)8-6-18-5-7-20(21(17-18)26(28)29)24-13-3-4-14-24/h5-8,17,19H,1-4,9-16H2/b8-6+