N-(3-bromophenyl)-4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3-bromophenyl)-4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(3-bromophenyl)-4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(3-bromophenyl)-4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-bromophenyl)-4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(3-bromophenyl)-4-[5-(4-chlorobenzyl)-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Formula: C30H29BrClN5O MolecularWeight: 590.94116

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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)Br)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)Br)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C30H29BrClN5O/c1-21-27(19-22-11-13-25(32)14-12-22)29(35-28(33-21)23-7-3-2-4-8-23)36-15-6-16-37(18-17-36)30(38)34-26-10-5-9-24(31)20-26/h2-5,7-14,20H,6,15-19H2,1H3,(H,34,38)