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

Systemtic Name: 1-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-3,3-dimethyl-butan-1-one Formula: C24H34N4O MolecularWeight: 394.55296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N4O/c1-18-21(16-20-10-7-6-8-11-20)23(26-19(2)25-18)28-13-9-12-27(14-15-28)22(29)17-24(3,4)5/h6-8,10-11H,9,12-17H2,1-5H3