2-[2-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]amino]benzimidazol-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]amino]benzimidazol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]amino]benzimidazol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-[[(E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-1-benzimidazolyl]ethyl-diethylammonium IUPAC Name: 2-[2-[[(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzimidazol-1-yl]ethyl-diethylazanium Traditional Name: 2-[2-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acryloyl]amino]benzimidazol-1-yl]ethyl-diethyl-ammonium Formula: C27H33N6O+ MolecularWeight: 457.59052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)C=CC3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)/C=C/C3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C27H32N6O/c1-5-31(6-2)18-19-32-25-15-11-10-14-24(25)28-27(32)29-26(34)17-16-23-20(3)30-33(21(23)4)22-12-8-7-9-13-22/h7-17H,5-6,18-19H2,1-4H3,(H,28,29,34)/p+1/b17-16+