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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)CC)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)CC)C

InChI

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