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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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