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

Systemtic Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]heptan-1-one Openeye Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]heptan-1-one CAS Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-1-heptanone IUPAC Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]-1,4-diazepan-1-yl]heptan-1-one Traditional Name: 1-[4-[5-(4-chlorobenzyl)-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]heptan-1-one Formula: C30H37ClN4O MolecularWeight: 505.09398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H37ClN4O/c1-3-4-5-9-13-28(36)34-18-10-19-35(21-20-34)30-27(22-24-14-16-26(31)17-15-24)23(2)32-29(33-30)25-11-7-6-8-12-25/h6-8,11-12,14-17H,3-5,9-10,13,18-22H2,1-2H3