tert-butyl N-[3-[4-[4-(1-ethylperoxypropan-2-yl)-2,5-bis(oxidanylidene)-3-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-7-yl]butoxy]pyridin-2-yl]carbamate

Systemtic Name: tert-butyl N-[3-[4-[4-(1-ethylperoxypropan-2-yl)-2,5-bis(oxidanylidene)-3-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-7-yl]butoxy]pyridin-2-yl]carbamate Openeye Name: tert-butyl N-[3-[4-[4-(2-ethylperoxy-1-methyl-ethyl)-1-isopropyl-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-7-yl]butoxy]-2-pyridyl]carbamate CAS Name: N-[3-[4-[4-(1-ethyldioxypropan-2-yl)-2,5-dioxo-3-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-7-yl]butoxy]-2-pyridinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-[4-(1-ethylperoxypropan-2-yl)-2,5-dioxo-3-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-7-yl]butoxy]pyridin-2-yl]carbamate Traditional Name: N-[3-[4-[4-(2-ethylperoxy-1-methyl-ethyl)-1-isopropyl-2,5-diketo-3-phenyl-3H-1,4-benzodiazepin-7-yl]butoxy]-2-pyridyl]carbamic acid tert-butyl ester Formula: C37H48N4O7 MolecularWeight: 660.79962

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Descriptors Computed from Structure

Canonical SMILES:

CCOOCC(C)N1C(C(=O)N(C2=C(C1=O)C=C(C=C2)CCCCOC3=C(N=CC=C3)NC(=O)OC(C)(C)C)C(C)C)C4=CC=CC=C4

Isomeric SMILES

CCOOCC(C)N1C(C(=O)N(C2=C(C1=O)C=C(C=C2)CCCCOC3=C(N=CC=C3)NC(=O)OC(C)(C)C)C(C)C)C4=CC=CC=C4

InChI

InChI=1S/C37H48N4O7/c1-8-46-47-24-26(4)41-32(28-16-10-9-11-17-28)35(43)40(25(2)3)30-20-19-27(23-29(30)34(41)42)15-12-13-22-45-31-18-14-21-38-33(31)39-36(44)48-37(5,6)7/h9-11,14,16-21,23,25-26,32H,8,12-13,15,22,24H2,1-7H3,(H,38,39,44)