[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[4-(2-phenylethynyl)pyridin-2-yl]methanone

Systemtic Name: [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[4-(2-phenylethynyl)pyridin-2-yl]methanone Openeye Name: [5-(aminomethyl)spiro[2H-benzofuran-3,4'-piperidine]-1'-yl]-[4-(2-phenylethynyl)-2-pyridyl]methanone CAS Name: [5-(aminomethyl)-1'-spiro[2H-benzofuran-3,4'-piperidine]yl]-[4-(2-phenylethynyl)-2-pyridinyl]methanone IUPAC Name: [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[4-(2-phenylethynyl)pyridin-2-yl]methanone Traditional Name: [5-(aminomethyl)spiro[coumaran-3,4'-piperidine]-1'-yl]-[4-(2-phenylethynyl)-2-pyridyl]methanone Formula: C27H25N3O2 MolecularWeight: 423.5063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12COC3=C2C=C(C=C3)CN)C(=O)C4=NC=CC(=C4)C#CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC12COC3=C2C=C(C=C3)CN)C(=O)C4=NC=CC(=C4)C#CC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O2/c28-18-22-8-9-25-23(16-22)27(19-32-25)11-14-30(15-12-27)26(31)24-17-21(10-13-29-24)7-6-20-4-2-1-3-5-20/h1-5,8-10,13,16-17H,11-12,14-15,18-19,28H2