N-butyl-4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-butyl-4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-butyl-4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide CAS Name: N-butyl-4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-butyl-4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-butyl-4-[5-(4-chlorobenzyl)-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Formula: C28H34ClN5O MolecularWeight: 492.05546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34ClN5O/c1-3-4-15-30-28(35)34-17-8-16-33(18-19-34)27-25(20-22-11-13-24(29)14-12-22)21(2)31-26(32-27)23-9-6-5-7-10-23/h5-7,9-14H,3-4,8,15-20H2,1-2H3,(H,30,35)