N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-9H-xanthene-9-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-9H-xanthene-9-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-9H-xanthene-9-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-9H-xanthene-9-carboxamide Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)N5CCCCCC5

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)N5CCCCCC5

InChI

InChI=1S/C27H31N3O2/c1-29-16-10-13-22(29)23(30-17-8-2-3-9-18-30)19-28-27(31)26-20-11-4-6-14-24(20)32-25-15-7-5-12-21(25)26/h4-7,10-16,23,26H,2-3,8-9,17-19H2,1H3,(H,28,31)