(E)-1-[4-(benzimidazol-1-ylmethyl)piperidin-1-yl]-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(benzimidazol-1-ylmethyl)piperidin-1-yl]-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(benzimidazol-1-ylmethyl)-1-piperidyl]-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one CAS Name: (E)-1-[4-(1-benzimidazolylmethyl)-1-piperidinyl]-3-(1,3-benzodioxol-5-yl)-2-propen-1-one IUPAC Name: (E)-1-[4-(benzimidazol-1-ylmethyl)piperidin-1-yl]-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(benzimidazol-1-ylmethyl)piperidino]-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C=NC3=CC=CC=C32)C(=O)C=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1CN2C=NC3=CC=CC=C32)C(=O)/C=C/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23N3O3/c27-23(8-6-17-5-7-21-22(13-17)29-16-28-21)25-11-9-18(10-12-25)14-26-15-24-19-3-1-2-4-20(19)26/h1-8,13,15,18H,9-12,14,16H2/b8-6+