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

Systemtic Name: N-(1-adamantyl)-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(1-adamantyl)-4-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(1-adamantyl)-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(1-adamantyl)-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(1-adamantyl)-4-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Formula: C30H41N5O MolecularWeight: 487.67944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)C(=O)NC45CC6CC(C4)CC(C6)C5)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)C(=O)NC45CC6CC(C4)CC(C6)C5)C)C

InChI

InChI=1S/C30H41N5O/c1-20-5-7-23(8-6-20)16-27-21(2)31-22(3)32-28(27)34-9-4-10-35(12-11-34)29(36)33-30-17-24-13-25(18-30)15-26(14-24)19-30/h5-8,24-26H,4,9-19H2,1-3H3,(H,33,36)