(4-phenylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-phenylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-phenylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone CAS Name: (4-phenylphenyl)-[4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-phenylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-phenylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Formula: C25H28N4O MolecularWeight: 400.51602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C)C

InChI

InChI=1S/C25H28N4O/c1-18-19(2)26-20(3)27-24(18)28-14-7-15-29(17-16-28)25(30)23-12-10-22(11-13-23)21-8-5-4-6-9-21/h4-6,8-13H,7,14-17H2,1-3H3