5-[4-(2-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)piperidin-1-yl]pentan-2-one

Systemtic Name: 5-[4-(2-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)piperidin-1-yl]pentan-2-one Openeye Name: 5-[4-(2-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)-1-piperidyl]pentan-2-one CAS Name: 5-[4-(2-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)-1-piperidinyl]-2-pentanone IUPAC Name: 5-[4-(2-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)piperidin-1-yl]pentan-2-one Traditional Name: 5-[4-(2-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)piperidino]pentan-2-one Formula: C25H29NOS MolecularWeight: 391.56886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SCC3=CC=CC=C3C2=C4CCN(CC4)CCCC(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)SCC3=CC=CC=C3C2=C4CCN(CC4)CCCC(=O)C

InChI

InChI=1S/C25H29NOS/c1-18-9-10-24-23(16-18)25(22-8-4-3-7-21(22)17-28-24)20-11-14-26(15-12-20)13-5-6-19(2)27/h3-4,7-10,16H,5-6,11-15,17H2,1-2H3