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

Systemtic Name: 1-adamantyl-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Openeye Name: 1-adamantyl-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone CAS Name: 1-adamantyl-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 1-adamantyl-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Traditional Name: 1-adamantyl-[4-(2,6-dimethyl-5-p-anisyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Formula: C30H40N4O2 MolecularWeight: 488.6642

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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=C(C=C6)OC

Isomeric SMILES

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

InChI

InChI=1S/C30H40N4O2/c1-20-27(16-22-5-7-26(36-3)8-6-22)28(32-21(2)31-20)33-9-4-10-34(12-11-33)29(35)30-17-23-13-24(18-30)15-25(14-23)19-30/h5-8,23-25H,4,9-19H2,1-3H3