tert-butyl N-[3-[4-[4-(2-ethylperoxy-1-phenyl-ethyl)-2,5-bis(oxidanylidene)-3-phenyl-1-(phenylmethyl)-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-(phenylmethyl)-3H-1,4-benzodiazepin-7-yl]butoxy]pyridin-2-yl]carbamate Openeye Name: tert-butyl N-[3-[4-[1-benzyl-4-(2-ethylperoxy-1-phenyl-ethyl)-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-(phenylmethyl)-3H-1,4-benzodiazepin-7-yl]butoxy]-2-pyridinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-[1-benzyl-4-(2-ethylperoxy-1-phenylethyl)-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-7-yl]butoxy]pyridin-2-yl]carbamate Traditional Name: N-[3-[4-[1-benzyl-4-(2-ethylperoxy-1-phenyl-ethyl)-2,5-diketo-3-phenyl-3H-1,4-benzodiazepin-7-yl]butoxy]-2-pyridyl]carbamic acid tert-butyl ester Formula: C46H50N4O7 MolecularWeight: 770.9118

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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)CCCCOC4=C(N=CC=C4)NC(=O)OC(C)(C)C)CC5=CC=CC=C5)C6=CC=CC=C6

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)CC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C46H50N4O7/c1-5-55-56-32-39(35-21-11-7-12-22-35)50-41(36-23-13-8-14-24-36)44(52)49(31-34-19-9-6-10-20-34)38-27-26-33(30-37(38)43(50)51)18-15-16-29-54-40-25-17-28-47-42(40)48-45(53)57-46(2,3)4/h6-14,17,19-28,30,39,41H,5,15-16,18,29,31-32H2,1-4H3,(H,47,48,53)