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

Systemtic Name: [4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-(1-naphthyl)methanone CAS Name: [4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepan-1-yl]-(1-naphthalenyl)methanone IUPAC Name: [4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]-naphthalen-1-ylmethanone Traditional Name: [4-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-(1-naphthyl)methanone Formula: C30H32N4O MolecularWeight: 464.60128

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)C4=CC=CC5=CC=CC=C54)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)C(=O)C4=CC=CC5=CC=CC=C54)C)C

InChI

InChI=1S/C30H32N4O/c1-21-12-14-24(15-13-21)20-28-22(2)31-23(3)32-29(28)33-16-7-17-34(19-18-33)30(35)27-11-6-9-25-8-4-5-10-26(25)27/h4-6,8-15H,7,16-20H2,1-3H3