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

Systemtic Name: cyclopropyl-[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]-cyclopropyl-methanone CAS Name: cyclopropyl-[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]-cyclopropylmethanone Traditional Name: [4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclopropyl-methanone Formula: C27H30N4O MolecularWeight: 426.5533

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)C4CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)C4CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H30N4O/c1-20-24(19-21-9-4-2-5-10-21)26(29-25(28-20)22-11-6-3-7-12-22)30-15-8-16-31(18-17-30)27(32)23-13-14-23/h2-7,9-12,23H,8,13-19H2,1H3