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

Systemtic Name: 1-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenylmethoxy-ethanone Openeye Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-benzyloxy-ethanone CAS Name: 1-[4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]-2-phenylmethoxyethanone IUPAC Name: 1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenylmethoxyethanone Traditional Name: 2-benzoxy-1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)COCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)COCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O2/c1-21-25(18-23-10-5-3-6-11-23)27(29-22(2)28-21)31-15-9-14-30(16-17-31)26(32)20-33-19-24-12-7-4-8-13-24/h3-8,10-13H,9,14-20H2,1-2H3