(E)-3-(4-imidazol-1-ylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-imidazol-1-ylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-imidazol-1-ylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-[4-(1-imidazolyl)phenyl]-1-[4-[2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-imidazol-1-ylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(4-imidazol-1-ylphenyl)-1-[4-(2-pyrrolidinoethyl)piperazino]prop-2-en-1-one Formula: C22H29N5O MolecularWeight: 379.49856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2CCN(CC2)C(=O)C=CC3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

C1CCN(C1)CCN2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C22H29N5O/c28-22(8-5-20-3-6-21(7-4-20)27-12-9-23-19-27)26-17-15-25(16-18-26)14-13-24-10-1-2-11-24/h3-9,12,19H,1-2,10-11,13-18H2/b8-5+