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

Systemtic Name: 1-adamantyl-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Openeye Name: 1-adamantyl-[4-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone CAS Name: 1-adamantyl-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 1-adamantyl-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Traditional Name: 1-adamantyl-[4-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Formula: C30H40N4O MolecularWeight: 472.6648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5)C)C

InChI

InChI=1S/C30H40N4O/c1-20-5-7-23(8-6-20)16-27-21(2)31-22(3)32-28(27)33-9-4-10-34(12-11-33)29(35)30-17-24-13-25(18-30)15-26(14-24)19-30/h5-8,24-26H,4,9-19H2,1-3H3