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

Systemtic Name: 1-[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one Openeye Name: 1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one CAS Name: 1-[4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 1-[4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one Traditional Name: 1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one Formula: C23H32N4O MolecularWeight: 380.52638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O/c1-5-10-20(28)26-13-9-14-27(16-15-26)23-21(17(2)3)18(4)24-22(25-23)19-11-7-6-8-12-19/h6-8,11-12,17H,5,9-10,13-16H2,1-4H3