N-[5-(1,3-benzodioxol-5-yl)-2-oxidanylidene-1-(2-oxidanylidenepropyl)-3H-1,4-benzodiazepin-3-yl]-3-[3,4-bis(fluoranyl)phenyl]-2-methyl-propanamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-2-oxidanylidene-1-(2-oxidanylidenepropyl)-3H-1,4-benzodiazepin-3-yl]-3-[3,4-bis(fluoranyl)phenyl]-2-methyl-propanamide Openeye Name: N-[1-acetonyl-5-(1,3-benzodioxol-5-yl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3,4-difluorophenyl)-2-methyl-propanamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-2-oxo-1-(2-oxopropyl)-3H-1,4-benzodiazepin-3-yl]-3-(3,4-difluorophenyl)-2-methylpropanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-2-oxo-1-(2-oxopropyl)-3H-1,4-benzodiazepin-3-yl]-3-(3,4-difluorophenyl)-2-methylpropanamide Traditional Name: N-[1-acetonyl-5-(1,3-benzodioxol-5-yl)-2-keto-3H-1,4-benzodiazepin-3-yl]-3-(3,4-difluorophenyl)-2-methyl-propionamide Formula: C29H25F2N3O5 MolecularWeight: 533.522706

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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)CC(=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)CC(=O)C

InChI

InChI=1S/C29H25F2N3O5/c1-16(11-18-7-9-21(30)22(31)12-18)28(36)33-27-29(37)34(14-17(2)35)23-6-4-3-5-20(23)26(32-27)19-8-10-24-25(13-19)39-15-38-24/h3-10,12-13,16,27H,11,14-15H2,1-2H3,(H,33,36)