1-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-4-chloranyl-2-phenyl-butan-1-one

Systemtic Name: 1-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-4-chloranyl-2-phenyl-butan-1-one Openeye Name: 1-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-4-chloro-2-phenyl-butan-1-one CAS Name: 1-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-4-chloro-2-phenyl-1-butanone IUPAC Name: 1-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-4-chloro-2-phenylbutan-1-one Traditional Name: 1-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-4-chloro-2-phenyl-butan-1-one Formula: C18H22ClNO MolecularWeight: 303.82638

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1CN(C2)C(=O)C(CCCl)C3=CC=CC=C3

Isomeric SMILES

C1C=CCC2C1CN(C2)C(=O)C(CCCl)C3=CC=CC=C3

InChI

InChI=1S/C18H22ClNO/c19-11-10-17(14-6-2-1-3-7-14)18(21)20-12-15-8-4-5-9-16(15)13-20/h1-7,15-17H,8-13H2