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

Systemtic Name: N-butyl-4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-butyl-4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide CAS Name: N-butyl-4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-butyl-4-[5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-butyl-4-[5-(4-chlorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Formula: C23H32ClN5O MolecularWeight: 429.98608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32ClN5O/c1-4-5-11-25-23(30)29-13-6-12-28(14-15-29)22-21(17(2)26-18(3)27-22)16-19-7-9-20(24)10-8-19/h7-10H,4-6,11-16H2,1-3H3,(H,25,30)