[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methanone

Systemtic Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methanone Openeye Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methanone CAS Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-(3,5-dimethyl-1-phenyl-4-pyrazolyl)methanone IUPAC Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone Traditional Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methanone Formula: C25H28N4O5S MolecularWeight: 496.57862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C25H28N4O5S/c1-18-24(19(2)29(26-18)20-7-4-3-5-8-20)25(30)27-11-13-28(14-12-27)35(31,32)21-9-10-22-23(17-21)34-16-6-15-33-22/h3-5,7-10,17H,6,11-16H2,1-2H3