1-adamantyl-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Openeye Name: 1-adamantyl-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone CAS Name: 1-adamantyl-[4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 1-adamantyl-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Traditional Name: 1-adamantyl-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Formula: C29H38N4O MolecularWeight: 458.63822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC=CC=C6

InChI

InChI=1S/C29H38N4O/c1-20-26(16-22-7-4-3-5-8-22)27(31-21(2)30-20)32-9-6-10-33(12-11-32)28(34)29-17-23-13-24(18-29)15-25(14-23)19-29/h3-5,7-8,23-25H,6,9-19H2,1-2H3