1-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]nonan-1-one

Systemtic Name: 1-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]nonan-1-one Openeye Name: 1-[4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]nonan-1-one CAS Name: 1-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepan-1-yl]-1-nonanone IUPAC Name: 1-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]nonan-1-one Traditional Name: 1-[4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]nonan-1-one Formula: C29H44N4O MolecularWeight: 464.68586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44N4O/c1-5-7-8-9-10-11-13-28(34)32-18-12-19-33(21-20-32)29-26(27(6-2)30-24(4)31-29)22-25-16-14-23(3)15-17-25/h14-17H,5-13,18-22H2,1-4H3