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

Systemtic Name: 2-phenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one Openeye Name: 2-phenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one CAS Name: 2-phenyl-1-[4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 2-phenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one Traditional Name: 2-phenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one Formula: C22H30N4O MolecularWeight: 366.4998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCCN(CC2)C3=NC(=NC(=C3C)C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCCN(CC2)C3=NC(=NC(=C3C)C)C

InChI

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