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

Systemtic Name: 4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[5-(4-chlorobenzyl)-6-methyl-2-phenyl-pyrimidin-4-yl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Formula: C30H29ClN6O3 MolecularWeight: 557.04266

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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=C(C=C4)[N+](=O)[O-])CC5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C30H29ClN6O3/c1-21-27(20-22-8-10-24(31)11-9-22)29(34-28(32-21)23-6-3-2-4-7-23)35-16-5-17-36(19-18-35)30(38)33-25-12-14-26(15-13-25)37(39)40/h2-4,6-15H,5,16-20H2,1H3,(H,33,38)