N-[3-[(4-cyanophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[3-[(4-cyanophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-9H-xanthene-9-carboxamide Openeye Name: N-[3-[(4-cyanophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-9H-xanthene-9-carboxamide CAS Name: N-[3-[(4-cyanophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-9H-xanthene-9-carboxamide IUPAC Name: N-[3-[(4-cyanophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-9H-xanthene-9-carboxamide Traditional Name: N-[3-(4-cyanobenzyl)-3-azabicyclo[3.1.0]hexan-6-yl]-9H-xanthene-9-carboxamide Formula: C27H23N3O2 MolecularWeight: 421.49042

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C2NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)CN1CC6=CC=C(C=C6)C#N

Isomeric SMILES

C1C2C(C2NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)CN1CC6=CC=C(C=C6)C#N

InChI

InChI=1S/C27H23N3O2/c28-13-17-9-11-18(12-10-17)14-30-15-21-22(16-30)26(21)29-27(31)25-19-5-1-3-7-23(19)32-24-8-4-2-6-20(24)25/h1-12,21-22,25-26H,14-16H2,(H,29,31)