tert-butyl N-[4-[3-[4-(2-ethylperoxy-1-phenyl-ethyl)-1-methyl-2,5-bis(oxidanylidene)-3-phenyl-3H-1,4-benzodiazepin-7-yl]propoxy]-6-methyl-pyrimidin-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-[3-[4-(2-ethylperoxy-1-phenyl-ethyl)-1-methyl-2,5-bis(oxidanylidene)-3-phenyl-3H-1,4-benzodiazepin-7-yl]propoxy]-6-methyl-pyrimidin-2-yl]carbamate Openeye Name: tert-butyl N-[4-[3-[4-(2-ethylperoxy-1-phenyl-ethyl)-1-methyl-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-7-yl]propoxy]-6-methyl-pyrimidin-2-yl]carbamate CAS Name: N-[4-[3-[4-(2-ethyldioxy-1-phenylethyl)-1-methyl-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-7-yl]propoxy]-6-methyl-2-pyrimidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[3-[4-(2-ethylperoxy-1-phenylethyl)-1-methyl-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-7-yl]propoxy]-6-methylpyrimidin-2-yl]carbamate Traditional Name: N-[4-[3-[4-(2-ethylperoxy-1-phenyl-ethyl)-2,5-diketo-1-methyl-3-phenyl-3H-1,4-benzodiazepin-7-yl]propoxy]-6-methyl-pyrimidin-2-yl]carbamic acid tert-butyl ester Formula: C39H45N5O7 MolecularWeight: 695.8039

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Descriptors Computed from Structure

Canonical SMILES:

CCOOCC(C1=CC=CC=C1)N2C(C(=O)N(C3=C(C2=O)C=C(C=C3)CCCOC4=NC(=NC(=C4)C)NC(=O)OC(C)(C)C)C)C5=CC=CC=C5

Isomeric SMILES

CCOOCC(C1=CC=CC=C1)N2C(C(=O)N(C3=C(C2=O)C=C(C=C3)CCCOC4=NC(=NC(=C4)C)NC(=O)OC(C)(C)C)C)C5=CC=CC=C5

InChI

InChI=1S/C39H45N5O7/c1-7-49-50-25-32(28-16-10-8-11-17-28)44-34(29-18-12-9-13-19-29)36(46)43(6)31-21-20-27(24-30(31)35(44)45)15-14-22-48-33-23-26(2)40-37(41-33)42-38(47)51-39(3,4)5/h8-13,16-21,23-24,32,34H,7,14-15,22,25H2,1-6H3,(H,40,41,42,47)