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

Systemtic Name: cyclobutyl-[4-[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Openeye Name: [4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclobutyl-methanone CAS Name: cyclobutyl-[4-[6-methyl-2-phenyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: [4-(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclobutylmethanone Traditional Name: [4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclobutyl-methanone Formula: C28H32N4O MolecularWeight: 440.57988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)C4CCC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)C4CCC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H32N4O/c1-21-25(20-22-10-4-2-5-11-22)27(30-26(29-21)23-12-6-3-7-13-23)31-16-9-17-32(19-18-31)28(33)24-14-8-15-24/h2-7,10-13,24H,8-9,14-20H2,1H3