1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-ethyl-hexan-1-one

Systemtic Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-ethyl-hexan-1-one Openeye Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-ethyl-hexan-1-one CAS Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-2-ethyl-1-hexanone IUPAC Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]-1,4-diazepan-1-yl]-2-ethylhexan-1-one Traditional Name: 1-[4-[5-(4-chlorobenzyl)-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-ethyl-hexan-1-one Formula: C31H39ClN4O MolecularWeight: 519.12056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)Cl)C)C4=CC=CC=C4

Isomeric SMILES

CCCCC(CC)C(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)Cl)C)C4=CC=CC=C4

InChI

InChI=1S/C31H39ClN4O/c1-4-6-11-25(5-2)31(37)36-19-10-18-35(20-21-36)30-28(22-24-14-16-27(32)17-15-24)23(3)33-29(34-30)26-12-8-7-9-13-26/h7-9,12-17,25H,4-6,10-11,18-22H2,1-3H3