1,3-bis[(3-azanyl-1,2-benzoxazol-5-yl)methyl]-5-oxidanyl-4-phenethyl-6-(phenylmethyl)-1,3-diazinan-2-one

Systemtic Name: 1,3-bis[(3-azanyl-1,2-benzoxazol-5-yl)methyl]-5-oxidanyl-4-phenethyl-6-(phenylmethyl)-1,3-diazinan-2-one Openeye Name: 1,3-bis[(3-amino-1,2-benzoxazol-5-yl)methyl]-4-benzyl-5-hydroxy-6-phenethyl-hexahydropyrimidin-2-one CAS Name: 1,3-bis[(3-amino-1,2-benzoxazol-5-yl)methyl]-5-hydroxy-4-phenethyl-6-(phenylmethyl)-1,3-diazinan-2-one IUPAC Name: 1,3-bis[(3-amino-1,2-benzoxazol-5-yl)methyl]-4-benzyl-5-hydroxy-6-phenethyl-1,3-diazinan-2-one Traditional Name: 1,3-bis[(3-aminoindoxazen-5-yl)methyl]-4-benzyl-5-hydroxy-6-phenethyl-hexahydropyrimidin-2-one Formula: C35H34N6O4 MolecularWeight: 602.68226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2C(C(N(C(=O)N2CC3=CC4=C(C=C3)ON=C4N)CC5=CC6=C(C=C5)ON=C6N)CC7=CC=CC=C7)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2C(C(N(C(=O)N2CC3=CC4=C(C=C3)ON=C4N)CC5=CC6=C(C=C5)ON=C6N)CC7=CC=CC=C7)O

InChI

InChI=1S/C35H34N6O4/c36-33-26-17-24(12-15-30(26)44-38-33)20-40-28(14-11-22-7-3-1-4-8-22)32(42)29(19-23-9-5-2-6-10-23)41(35(40)43)21-25-13-16-31-27(18-25)34(37)39-45-31/h1-10,12-13,15-18,28-29,32,42H,11,14,19-21H2,(H2,36,38)(H2,37,39)