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

Systemtic Name: 4-[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]-N-phenyl-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-N-phenyl-1,4-diazepane-1-carboxamide CAS Name: 4-[6-methyl-2-phenyl-5-(phenylmethyl)-4-pyrimidinyl]-N-phenyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)-N-phenyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-N-phenyl-1,4-diazepane-1-carboxamide Formula: C30H31N5O MolecularWeight: 477.60004

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C30H31N5O/c1-23-27(22-24-12-5-2-6-13-24)29(33-28(31-23)25-14-7-3-8-15-25)34-18-11-19-35(21-20-34)30(36)32-26-16-9-4-10-17-26/h2-10,12-17H,11,18-22H2,1H3,(H,32,36)