2-[5-(1,3-benzodioxol-5-yl)-3-[[3-[3,4-bis(fluoranyl)phenyl]-2-methyl-propanoyl]amino]-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethyl ethanoate

Systemtic Name: 2-[5-(1,3-benzodioxol-5-yl)-3-[[3-[3,4-bis(fluoranyl)phenyl]-2-methyl-propanoyl]amino]-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethyl ethanoate Openeye Name: 2-[5-(1,3-benzodioxol-5-yl)-3-[[3-(3,4-difluorophenyl)-2-methyl-propanoyl]amino]-2-oxo-3H-1,4-benzodiazepin-1-yl]ethyl acetate CAS Name: acetic acid 2-[5-(1,3-benzodioxol-5-yl)-3-[[3-(3,4-difluorophenyl)-2-methyl-1-oxopropyl]amino]-2-oxo-3H-1,4-benzodiazepin-1-yl]ethyl ester IUPAC Name: 2-[5-(1,3-benzodioxol-5-yl)-3-[[3-(3,4-difluorophenyl)-2-methylpropanoyl]amino]-2-oxo-3H-1,4-benzodiazepin-1-yl]ethyl acetate Traditional Name: acetic acid 2-[5-(1,3-benzodioxol-5-yl)-3-[[3-(3,4-difluorophenyl)-2-methyl-propanoyl]amino]-2-keto-3H-1,4-benzodiazepin-1-yl]ethyl ester Formula: C30H27F2N3O6 MolecularWeight: 563.548686

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)F)F)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC5=C(C=C4)OCO5)CCOC(=O)C

Isomeric SMILES

CC(CC1=CC(=C(C=C1)F)F)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC5=C(C=C4)OCO5)CCOC(=O)C

InChI

InChI=1S/C30H27F2N3O6/c1-17(13-19-7-9-22(31)23(32)14-19)29(37)34-28-30(38)35(11-12-39-18(2)36)24-6-4-3-5-21(24)27(33-28)20-8-10-25-26(15-20)41-16-40-25/h3-10,14-15,17,28H,11-13,16H2,1-2H3,(H,34,37)