N-[4-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-keto-4-[2-(1-methylpyrrol-2-yl)azepan-1-yl]butyl]adamantane-1-carboxamide Formula: C26H39N3O2 MolecularWeight: 425.60676

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H39N3O2/c1-28-11-6-8-22(28)23-7-3-2-4-12-29(23)24(30)9-5-10-27-25(31)26-16-19-13-20(17-26)15-21(14-19)18-26/h6,8,11,19-21,23H,2-5,7,9-10,12-18H2,1H3,(H,27,31)