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

Systemtic Name: 1-[4-[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[6-methyl-2-phenyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)C)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O/c1-19-23(18-21-10-5-3-6-11-21)25(27-24(26-19)22-12-7-4-8-13-22)29-15-9-14-28(16-17-29)20(2)30/h3-8,10-13H,9,14-18H2,1-2H3