N-[[4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]benzyl]adamantane-1-carboxamide Formula: C29H37N3O2S MolecularWeight: 491.68798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC=CS6

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC=CS6

InChI

InChI=1S/C29H37N3O2S/c33-27(32-9-2-8-31(10-11-32)20-26-3-1-12-35-26)25-6-4-21(5-7-25)19-30-28(34)29-16-22-13-23(17-29)15-24(14-22)18-29/h1,3-7,12,22-24H,2,8-11,13-20H2,(H,30,34)