N-[[4-[2-(azepan-1-yl)ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[2-(azepan-1-yl)ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[2-(azepan-1-yl)ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[2-(1-azepanyl)ethylamino]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[2-(azepan-1-yl)ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[2-(azepan-1-yl)ethylcarbamoyl]benzyl]adamantane-1-carboxamide Formula: C27H39N3O2 MolecularWeight: 437.61746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCCN(CC1)CCNC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H39N3O2/c31-25(28-9-12-30-10-3-1-2-4-11-30)24-7-5-20(6-8-24)19-29-26(32)27-16-21-13-22(17-27)15-23(14-21)18-27/h5-8,21-23H,1-4,9-19H2,(H,28,31)(H,29,32)