N-(2-ethoxyphenyl)-4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-ethoxyphenyl)-4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-(2-ethoxyphenyl)-4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepane-1-carboxamide CAS Name: N-(2-ethoxyphenyl)-4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-ethoxyphenyl)-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-N-o-phenetyl-1,4-diazepane-1-carboxamide Formula: C28H35N5O2 MolecularWeight: 473.6098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=NC(=NC(=C3C(C)C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=NC(=NC(=C3C(C)C)C)C4=CC=CC=C4

InChI

InChI=1S/C28H35N5O2/c1-5-35-24-15-10-9-14-23(24)30-28(34)33-17-11-16-32(18-19-33)27-25(20(2)3)21(4)29-26(31-27)22-12-7-6-8-13-22/h6-10,12-15,20H,5,11,16-19H2,1-4H3,(H,30,34)