(4-tert-butylphenyl)-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Openeye Name: [4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(4-tert-butylphenyl)methanone CAS Name: (4-tert-butylphenyl)-[4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: [4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(4-tert-butylphenyl)methanone Traditional Name: [4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(4-tert-butylphenyl)methanone Formula: C30H38N4O MolecularWeight: 470.64892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C)CC4=CC=CC=C4

InChI

InChI=1S/C30H38N4O/c1-6-27-26(21-23-11-8-7-9-12-23)28(32-22(2)31-27)33-17-10-18-34(20-19-33)29(35)24-13-15-25(16-14-24)30(3,4)5/h7-9,11-16H,6,10,17-21H2,1-5H3