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

Systemtic Name: ethyl 4-[[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepane-1-carbonyl]amino]benzoate CAS Name: 4-[[[4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepane-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepane-1-carbonyl]amino]benzoic acid ethyl ester Formula: C29H35N5O3 MolecularWeight: 501.6199

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC(=NC(=C3C(C)C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC(=NC(=C3C(C)C)C)C4=CC=CC=C4

InChI

InChI=1S/C29H35N5O3/c1-5-37-28(35)23-12-14-24(15-13-23)31-29(36)34-17-9-16-33(18-19-34)27-25(20(2)3)21(4)30-26(32-27)22-10-7-6-8-11-22/h6-8,10-15,20H,5,9,16-19H2,1-4H3,(H,31,36)