[4-(phenylmethyl)piperidin-1-yl]-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]methanone

Systemtic Name: [4-(phenylmethyl)piperidin-1-yl]-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]methanone Openeye Name: (4-benzyl-1-piperidyl)-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]methanone CAS Name: [4-(phenylmethyl)-1-piperidinyl]-[3-[[(6-phenyl-3-pyridazinyl)thio]methyl]phenyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]methanone Traditional Name: (4-benzylpiperidino)-[3-[[(6-phenylpyridazin-3-yl)thio]methyl]phenyl]methanone Formula: C30H29N3OS MolecularWeight: 479.63576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)CSC4=NN=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)CSC4=NN=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H29N3OS/c34-30(33-18-16-24(17-19-33)20-23-8-3-1-4-9-23)27-13-7-10-25(21-27)22-35-29-15-14-28(31-32-29)26-11-5-2-6-12-26/h1-15,21,24H,16-20,22H2