(E)-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enamide CAS Name: (E)-N-[3-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]acrylamide Formula: C29H31N6O+ MolecularWeight: 479.59604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C=CC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)N5CC[NH+](CC5)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)N5CC[NH+](CC5)C

InChI

InChI=1S/C29H30N6O/c1-22-19-25(11-12-27(22)34-17-15-33(2)16-18-34)31-28(36)13-10-24-21-35(26-8-4-3-5-9-26)32-29(24)23-7-6-14-30-20-23/h3-14,19-21H,15-18H2,1-2H3,(H,31,36)/p+1/b13-10+