ethyl 2-[[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepane-1-carbonyl]amino]acetate CAS Name: 2-[[[4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepane-1-carbonyl]amino]acetate Traditional Name: 2-[[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepane-1-carbonyl]amino]acetic acid ethyl ester Formula: C24H33N5O3 MolecularWeight: 439.55052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)N1CCCN(CC1)C2=NC(=NC(=C2C(C)C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CNC(=O)N1CCCN(CC1)C2=NC(=NC(=C2C(C)C)C)C3=CC=CC=C3

InChI

InChI=1S/C24H33N5O3/c1-5-32-20(30)16-25-24(31)29-13-9-12-28(14-15-29)23-21(17(2)3)18(4)26-22(27-23)19-10-7-6-8-11-19/h6-8,10-11,17H,5,9,12-16H2,1-4H3,(H,25,31)