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

Systemtic Name: 1-[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 1-[4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 1-[4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one Traditional Name: 1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one Formula: C22H30N4O MolecularWeight: 366.4998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O/c1-5-19(27)25-12-9-13-26(15-14-25)22-20(16(2)3)17(4)23-21(24-22)18-10-7-6-8-11-18/h6-8,10-11,16H,5,9,12-15H2,1-4H3