(3-bromophenyl)-[4-[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-bromophenyl)-[4-[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Openeye Name: [4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(3-bromophenyl)methanone CAS Name: (3-bromophenyl)-[4-[6-methyl-2-phenyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: [4-(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(3-bromophenyl)methanone Traditional Name: [4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(3-bromophenyl)methanone Formula: C30H29BrN4O MolecularWeight: 541.48146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)C4=CC(=CC=C4)Br)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)C4=CC(=CC=C4)Br)CC5=CC=CC=C5

InChI

InChI=1S/C30H29BrN4O/c1-22-27(20-23-10-4-2-5-11-23)29(33-28(32-22)24-12-6-3-7-13-24)34-16-9-17-35(19-18-34)30(36)25-14-8-15-26(31)21-25/h2-8,10-15,21H,9,16-20H2,1H3