1-[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-one

Systemtic Name: 1-[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-one Openeye Name: 1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-one CAS Name: 1-[4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]-1-pentanone IUPAC Name: 1-[4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-one Traditional Name: 1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-one Formula: C24H34N4O MolecularWeight: 394.55296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCCN(CC1)C2=NC(=NC(=C2C(C)C)C)C3=CC=CC=C3

Isomeric SMILES

CCCCC(=O)N1CCCN(CC1)C2=NC(=NC(=C2C(C)C)C)C3=CC=CC=C3

InChI

InChI=1S/C24H34N4O/c1-5-6-13-21(29)27-14-10-15-28(17-16-27)24-22(18(2)3)19(4)25-23(26-24)20-11-8-7-9-12-20/h7-9,11-12,18H,5-6,10,13-17H2,1-4H3