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2-[5-(2,3-dihydro-1H-indol-3-yl)-3-methyl-2-oxidanylidene-1,4-benzodiazepin-6-yl]benzoic acid

2-[5-(2,3-dihydro-1H-indol-3-yl)-3-methyl-2-oxidanylidene-1,4-benzodiazepin-6-yl]benzoic acid

Systemtic Name:2-[5-(2,3-dihydro-1H-indol-3-yl)-3-methyl-2-oxidanylidene-1,4-benzodiazepin-6-yl]benzoic acid
Openeye Name:2-(5-indolin-3-yl-3-methyl-2-oxo-1,4-benzodiazepin-6-yl)benzoic acid
CAS Name:2-[5-(2,3-dihydro-1H-indol-3-yl)-3-methyl-2-oxo-1,4-benzodiazepin-6-yl]benzoic acid
IUPAC Name:2-[5-(2,3-dihydro-1H-indol-3-yl)-3-methyl-2-oxo-1,4-benzodiazepin-6-yl]benzoic acid
Traditional Name:2-(5-indolin-3-yl-2-keto-3-methyl-1,4-benzodiazepin-6-yl)benzoic acid
Formula: C25H19N3O3
MolecularWeight: 409.43666
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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=NC1=O)C=CC=C2C3=CC=CC=C3C(=O)O)C4CNC5=CC=CC=C45


Isomeric SMILES

CC1=NC(=C2C(=NC1=O)C=CC=C2C3=CC=CC=C3C(=O)O)C4CNC5=CC=CC=C45


InChI

InChI=1S/C25H19N3O3/c1-14-24(29)28-21-12-6-10-17(15-7-2-3-9-18(15)25(30)31)22(21)23(27-14)19-13-26-20-11-5-4-8-16(19)20/h2-12,19,26H,13H2,1H3,(H,30,31)


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