3-[1-[4-[2-(3,4-dimethoxyphenyl)ethynyl]phenyl]carbonylpiperidin-4-yl]benzenecarboximidamide

Systemtic Name: 3-[1-[4-[2-(3,4-dimethoxyphenyl)ethynyl]phenyl]carbonylpiperidin-4-yl]benzenecarboximidamide Openeye Name: 3-[1-[4-[2-(3,4-dimethoxyphenyl)ethynyl]benzoyl]-4-piperidyl]benzamidine CAS Name: 3-[1-[[4-[2-(3,4-dimethoxyphenyl)ethynyl]phenyl]-oxomethyl]-4-piperidinyl]benzenecarboximidamide IUPAC Name: 3-[1-[4-[2-(3,4-dimethoxyphenyl)ethynyl]benzoyl]piperidin-4-yl]benzenecarboximidamide Traditional Name: 3-[1-[4-[2-(3,4-dimethoxyphenyl)ethynyl]benzoyl]-4-piperidyl]benzamidine Formula: C29H29N3O3 MolecularWeight: 467.55886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)C(=O)N3CCC(CC3)C4=CC=CC(=C4)C(=N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)C(=O)N3CCC(CC3)C4=CC=CC(=C4)C(=N)N)OC

InChI

InChI=1S/C29H29N3O3/c1-34-26-13-10-21(18-27(26)35-2)7-6-20-8-11-23(12-9-20)29(33)32-16-14-22(15-17-32)24-4-3-5-25(19-24)28(30)31/h3-5,8-13,18-19,22H,14-17H2,1-2H3,(H3,30,31)