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

Systemtic Name: 4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-N-naphthalen-1-yl-1,4-diazepane-1-carboxamide Openeye Name: 4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-N-(1-naphthyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-N-(1-naphthalenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-N-naphthalen-1-yl-1,4-diazepane-1-carboxamide Traditional Name: 4-[5-(4-chlorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]-N-(1-naphthyl)-1,4-diazepane-1-carboxamide Formula: C29H30ClN5O MolecularWeight: 500.0344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=CC4=CC=CC=C43)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=CC4=CC=CC=C43)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H30ClN5O/c1-20-26(19-22-11-13-24(30)14-12-22)28(32-21(2)31-20)34-15-6-16-35(18-17-34)29(36)33-27-10-5-8-23-7-3-4-9-25(23)27/h3-5,7-14H,6,15-19H2,1-2H3,(H,33,36)