4-[[2-methyl-2-[4-(6-methylpyridin-3-yl)-1,4-diazepan-1-yl]propanoyl]amino]adamantane-1-carboxamide

Systemtic Name: 4-[[2-methyl-2-[4-(6-methylpyridin-3-yl)-1,4-diazepan-1-yl]propanoyl]amino]adamantane-1-carboxamide Openeye Name: 4-[[2-methyl-2-[4-(6-methyl-3-pyridyl)-1,4-diazepan-1-yl]propanoyl]amino]adamantane-1-carboxamide CAS Name: 4-[[2-methyl-2-[4-(6-methyl-3-pyridinyl)-1,4-diazepan-1-yl]-1-oxopropyl]amino]-1-adamantanecarboxamide IUPAC Name: 4-[[2-methyl-2-[4-(6-methylpyridin-3-yl)-1,4-diazepan-1-yl]propanoyl]amino]adamantane-1-carboxamide Traditional Name: 4-[[2-methyl-2-[4-(6-methyl-3-pyridyl)-1,4-diazepan-1-yl]propanoyl]amino]adamantane-1-carboxamide Formula: C26H39N5O2 MolecularWeight: 453.62016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)N2CCCN(CC2)C(C)(C)C(=O)NC3C4CC5CC3CC(C5)(C4)C(=O)N

Isomeric SMILES

CC1=NC=C(C=C1)N2CCCN(CC2)C(C)(C)C(=O)NC3C4CC5CC3CC(C5)(C4)C(=O)N

InChI

InChI=1S/C26H39N5O2/c1-17-5-6-21(16-28-17)30-7-4-8-31(10-9-30)25(2,3)24(33)29-22-19-11-18-12-20(22)15-26(13-18,14-19)23(27)32/h5-6,16,18-20,22H,4,7-15H2,1-3H3,(H2,27,32)(H,29,33)