1-[4-[4-(6-chloranyl-2H-indazol-3-yl)-4-piperazin-1-yl-butoxy]-3-methoxy-phenyl]ethanone

Systemtic Name: 1-[4-[4-(6-chloranyl-2H-indazol-3-yl)-4-piperazin-1-yl-butoxy]-3-methoxy-phenyl]ethanone Openeye Name: 1-[4-[4-(6-chloro-2H-indazol-3-yl)-4-piperazin-1-yl-butoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[4-(6-chloro-2H-indazol-3-yl)-4-(1-piperazinyl)butoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[4-(6-chloro-2H-indazol-3-yl)-4-piperazin-1-ylbutoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[4-(6-chloro-2H-indazol-3-yl)-4-piperazino-butoxy]-3-methoxy-phenyl]ethanone Formula: C24H29ClN4O3 MolecularWeight: 456.96506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCCCC(C2=C3C=CC(=CC3=NN2)Cl)N4CCNCC4)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCCCC(C2=C3C=CC(=CC3=NN2)Cl)N4CCNCC4)OC

InChI

InChI=1S/C24H29ClN4O3/c1-16(30)17-5-8-22(23(14-17)31-2)32-13-3-4-21(29-11-9-26-10-12-29)24-19-7-6-18(25)15-20(19)27-28-24/h5-8,14-15,21,26H,3-4,9-13H2,1-2H3,(H,27,28)