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

Systemtic Name: 5-[4-(2-methoxy-6H-benzo[c][1]benzothiepin-11-ylidene)piperidin-1-yl]pentan-2-one Openeye Name: 5-[4-(2-methoxy-6H-benzo[c][1]benzothiepin-11-ylidene)-1-piperidyl]pentan-2-one CAS Name: 5-[4-(2-methoxy-6H-benzo[c][1]benzothiepin-11-ylidene)-1-piperidinyl]-2-pentanone IUPAC Name: 5-[4-(2-methoxy-6H-benzo[c][1]benzothiepin-11-ylidene)piperidin-1-yl]pentan-2-one Traditional Name: 5-[4-(2-methoxy-6H-benzo[c][1]benzothiepin-11-ylidene)piperidino]pentan-2-one Formula: C25H29NO2S MolecularWeight: 407.56826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCN1CCC(=C2C3=CC=CC=C3CSC4=C2C=C(C=C4)OC)CC1

Isomeric SMILES

CC(=O)CCCN1CCC(=C2C3=CC=CC=C3CSC4=C2C=C(C=C4)OC)CC1

InChI

InChI=1S/C25H29NO2S/c1-18(27)6-5-13-26-14-11-19(12-15-26)25-22-8-4-3-7-20(22)17-29-24-10-9-21(28-2)16-23(24)25/h3-4,7-10,16H,5-6,11-15,17H2,1-2H3