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

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)-5-(1,3-benzodioxol-5-yl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-2-methyl-3-phenyl-propanamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)-5-(1,3-benzodioxol-5-yl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-2-methyl-3-phenyl-propanamide CAS Name: N-[1-(2-amino-2-oxoethyl)-5-(1,3-benzodioxol-5-yl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-2-methyl-3-phenylpropanamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)-5-(1,3-benzodioxol-5-yl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-2-methyl-3-phenylpropanamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)-5-(1,3-benzodioxol-5-yl)-2-keto-3H-1,4-benzodiazepin-3-yl]-2-methyl-3-phenyl-propionamide Formula: C28H26N4O5 MolecularWeight: 498.52984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26N4O5/c1-17(13-18-7-3-2-4-8-18)27(34)31-26-28(35)32(15-24(29)33)21-10-6-5-9-20(21)25(30-26)19-11-12-22-23(14-19)37-16-36-22/h2-12,14,17,26H,13,15-16H2,1H3,(H2,29,33)(H,31,34)