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

Systemtic Name: 4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-N-phenyl-1,4-diazepane-1-carboxamide Openeye Name: 4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-N-phenyl-1,4-diazepane-1-carboxamide CAS Name: 4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-N-phenyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]-N-phenyl-1,4-diazepane-1-carboxamide Traditional Name: 4-[5-(4-chlorobenzyl)-6-methyl-2-phenyl-pyrimidin-4-yl]-N-phenyl-1,4-diazepane-1-carboxamide Formula: C30H30ClN5O MolecularWeight: 512.0451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)NC4=CC=CC=C4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)NC4=CC=CC=C4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C30H30ClN5O/c1-22-27(21-23-13-15-25(31)16-14-23)29(34-28(32-22)24-9-4-2-5-10-24)35-17-8-18-36(20-19-35)30(37)33-26-11-6-3-7-12-26/h2-7,9-16H,8,17-21H2,1H3,(H,33,37)