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

Systemtic Name: 4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-N-(phenylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-benzyl-4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide CAS Name: 4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-N-(phenylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-benzyl-4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-benzyl-4-[5-(4-chlorobenzyl)-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Formula: C31H32ClN5O MolecularWeight: 526.07168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)NCC4=CC=CC=C4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)NCC4=CC=CC=C4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C31H32ClN5O/c1-23-28(21-24-13-15-27(32)16-14-24)30(35-29(34-23)26-11-6-3-7-12-26)36-17-8-18-37(20-19-36)31(38)33-22-25-9-4-2-5-10-25/h2-7,9-16H,8,17-22H2,1H3,(H,33,38)