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

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1-[2-(ethylamino)-2-oxidanylidene-ethyl]-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-[3,4-bis(fluoranyl)phenyl]-2-methyl-propanamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1-[2-(ethylamino)-2-oxo-ethyl]-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3,4-difluorophenyl)-2-methyl-propanamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1-[2-(ethylamino)-2-oxoethyl]-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3,4-difluorophenyl)-2-methylpropanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1-[2-(ethylamino)-2-oxoethyl]-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3,4-difluorophenyl)-2-methylpropanamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1-[2-(ethylamino)-2-keto-ethyl]-2-keto-3H-1,4-benzodiazepin-3-yl]-3-(3,4-difluorophenyl)-2-methyl-propionamide Formula: C30H28F2N4O5 MolecularWeight: 562.563926

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C(C)CC3=CC(=C(C=C3)F)F)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCNC(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C(C)CC3=CC(=C(C=C3)F)F)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C30H28F2N4O5/c1-3-33-26(37)15-36-23-7-5-4-6-20(23)27(19-9-11-24-25(14-19)41-16-40-24)34-28(30(36)39)35-29(38)17(2)12-18-8-10-21(31)22(32)13-18/h4-11,13-14,17,28H,3,12,15-16H2,1-2H3,(H,33,37)(H,35,38)