1-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]-3-methyl-1-butanone IUPAC Name: 1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-methyl-butan-1-one Formula: C23H32N4O MolecularWeight: 380.52638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CC(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CC(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C23H32N4O/c1-17(2)15-22(28)26-11-8-12-27(14-13-26)23-21(18(3)24-19(4)25-23)16-20-9-6-5-7-10-20/h5-7,9-10,17H,8,11-16H2,1-4H3