tert-butyl N-[3-[4-[4-(2-ethylperoxy-1-phenyl-ethyl)-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-(2-ethylperoxy-1-phenyl-ethyl)-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-phenyl-ethyl)-1-isopropyl-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-7-yl]butoxy]-2-pyridyl]carbamate CAS Name: N-[3-[4-[4-(2-ethyldioxy-1-phenylethyl)-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-(2-ethylperoxy-1-phenylethyl)-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-phenyl-ethyl)-1-isopropyl-2,5-diketo-3-phenyl-3H-1,4-benzodiazepin-7-yl]butoxy]-2-pyridyl]carbamic acid tert-butyl ester Formula: C42H50N4O7 MolecularWeight: 722.869

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOOCC(C1=CC=CC=C1)N2C(C(=O)N(C3=C(C2=O)C=C(C=C3)CCCCOC4=C(N=CC=C4)NC(=O)OC(C)(C)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)CCCCOC4=C(N=CC=C4)NC(=O)OC(C)(C)C)C(C)C)C5=CC=CC=C5

InChI

InChI=1S/C42H50N4O7/c1-7-51-52-28-35(31-18-10-8-11-19-31)46-37(32-20-12-9-13-21-32)40(48)45(29(2)3)34-24-23-30(27-33(34)39(46)47)17-14-15-26-50-36-22-16-25-43-38(36)44-41(49)53-42(4,5)6/h8-13,16,18-25,27,29,35,37H,7,14-15,17,26,28H2,1-6H3,(H,43,44,49)