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

Systemtic Name: 1-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]pentan-1-one Openeye Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-one CAS Name: 1-[4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]-1-pentanone IUPAC Name: 1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-one Traditional Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-one Formula: C23H32N4O MolecularWeight: 380.52638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)C)C

Isomeric SMILES

CCCCC(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)C)C

InChI

InChI=1S/C23H32N4O/c1-4-5-12-22(28)26-13-9-14-27(16-15-26)23-21(18(2)24-19(3)25-23)17-20-10-7-6-8-11-20/h6-8,10-11H,4-5,9,12-17H2,1-3H3