1-[4-[3,6-bis(chloranyl)-10,10-dimethyl-anthracen-9-ylidene]piperidin-1-yl]pentan-3-one

Systemtic Name: 1-[4-[3,6-bis(chloranyl)-10,10-dimethyl-anthracen-9-ylidene]piperidin-1-yl]pentan-3-one Openeye Name: 1-[4-(3,6-dichloro-10,10-dimethyl-9-anthrylidene)-1-piperidyl]pentan-3-one CAS Name: 1-[4-(3,6-dichloro-10,10-dimethyl-9-anthracenylidene)-1-piperidinyl]-3-pentanone IUPAC Name: 1-[4-(3,6-dichloro-10,10-dimethylanthracen-9-ylidene)piperidin-1-yl]pentan-3-one Traditional Name: 1-[4-(3,6-dichloro-10,10-dimethyl-9-anthrylidene)piperidino]pentan-3-one Formula: C26H29Cl2NO MolecularWeight: 442.42056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CCN1CCC(=C2C3=C(C=C(C=C3)Cl)C(C4=C2C=CC(=C4)Cl)(C)C)CC1

Isomeric SMILES

CCC(=O)CCN1CCC(=C2C3=C(C=C(C=C3)Cl)C(C4=C2C=CC(=C4)Cl)(C)C)CC1

InChI

InChI=1S/C26H29Cl2NO/c1-4-20(30)11-14-29-12-9-17(10-13-29)25-21-7-5-18(27)15-23(21)26(2,3)24-16-19(28)6-8-22(24)25/h5-8,15-16H,4,9-14H2,1-3H3