N-(1-adamantyl)-4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(1-adamantyl)-4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(1-adamantyl)-4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(1-adamantyl)-4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(1-adamantyl)-4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(1-adamantyl)-4-(2,6-dimethyl-5-p-anisyl-pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Formula: C30H41N5O2 MolecularWeight: 503.67884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4)CC6=CC=C(C=C6)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4)CC6=CC=C(C=C6)OC

InChI

InChI=1S/C30H41N5O2/c1-20-27(16-22-5-7-26(37-3)8-6-22)28(32-21(2)31-20)34-9-4-10-35(12-11-34)29(36)33-30-17-23-13-24(18-30)15-25(14-23)19-30/h5-8,23-25H,4,9-19H2,1-3H3,(H,33,36)