cyclobutyl-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone

Systemtic Name: cyclobutyl-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Openeye Name: [4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclobutyl-methanone CAS Name: cyclobutyl-[4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: [4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclobutylmethanone Traditional Name: [4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclobutyl-methanone Formula: C23H30N4O MolecularWeight: 378.5105

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3CCC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3CCC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H30N4O/c1-17-21(16-19-8-4-3-5-9-19)22(25-18(2)24-17)26-12-7-13-27(15-14-26)23(28)20-10-6-11-20/h3-5,8-9,20H,6-7,10-16H2,1-2H3