5-phenyl-2-(1-pyrrolidin-1-ylpentylidene)cyclohexane-1,3-dione

Systemtic Name: 5-phenyl-2-(1-pyrrolidin-1-ylpentylidene)cyclohexane-1,3-dione Openeye Name: 5-phenyl-2-(1-pyrrolidin-1-ylpentylidene)cyclohexane-1,3-dione CAS Name: 5-phenyl-2-[1-(1-pyrrolidinyl)pentylidene]cyclohexane-1,3-dione IUPAC Name: 5-phenyl-2-(1-pyrrolidin-1-ylpentylidene)cyclohexane-1,3-dione Traditional Name: 5-phenyl-2-(1-pyrrolidinopentylidene)cyclohexane-1,3-quinone Formula: C21H27NO2 MolecularWeight: 325.44458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C1C(=O)CC(CC1=O)C2=CC=CC=C2)N3CCCC3

Isomeric SMILES

CCCCC(=C1C(=O)CC(CC1=O)C2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C21H27NO2/c1-2-3-11-18(22-12-7-8-13-22)21-19(23)14-17(15-20(21)24)16-9-5-4-6-10-16/h4-6,9-10,17H,2-3,7-8,11-15H2,1H3