(5Z)-5-[1-[bis(phenylmethyl)amino]oct-2-yn-4-ylidene]-4,4-dimethyl-cycloheptan-1-one

Systemtic Name: (5Z)-5-[1-[bis(phenylmethyl)amino]oct-2-yn-4-ylidene]-4,4-dimethyl-cycloheptan-1-one Openeye Name: (5Z)-5-[1-[3-(dibenzylamino)prop-1-ynyl]pentylidene]-4,4-dimethyl-cycloheptanone CAS Name: (5Z)-5-[1-[bis(phenylmethyl)amino]oct-2-yn-4-ylidene]-4,4-dimethyl-1-cycloheptanone IUPAC Name: (5Z)-5-[1-(dibenzylamino)oct-2-yn-4-ylidene]-4,4-dimethylcycloheptan-1-one Traditional Name: (5Z)-5-[1-butyl-4-(dibenzylamino)but-2-ynylidene]-4,4-dimethyl-cycloheptanone Formula: C31H39NO MolecularWeight: 441.64746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C1CCC(=O)CCC1(C)C)C#CCN(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCCC/C(=C/1\CCC(=O)CCC1(C)C)/C#CCN(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C31H39NO/c1-4-5-17-28(30-20-19-29(33)21-22-31(30,2)3)18-12-23-32(24-26-13-8-6-9-14-26)25-27-15-10-7-11-16-27/h6-11,13-16H,4-5,17,19-25H2,1-3H3/b30-28-