6-bromanyl-4-oxidanylidene-2-phenyl-3-[3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]propoxy]chromene-8-carboxylic acid

Systemtic Name: 6-bromanyl-4-oxidanylidene-2-phenyl-3-[3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]propoxy]chromene-8-carboxylic acid Openeye Name: 6-bromo-4-oxo-2-phenyl-3-[3-[4-(2-quinolylmethyl)piperazin-1-yl]propoxy]chromene-8-carboxylic acid CAS Name: 6-bromo-4-oxo-2-phenyl-3-[3-[4-(2-quinolinylmethyl)-1-piperazinyl]propoxy]-1-benzopyran-8-carboxylic acid IUPAC Name: 6-bromo-4-oxo-2-phenyl-3-[3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]propoxy]chromene-8-carboxylic acid Traditional Name: 6-bromo-4-keto-2-phenyl-3-[3-[4-(2-quinolylmethyl)piperazino]propoxy]chromene-8-carboxylic acid Formula: C33H30BrN3O5 MolecularWeight: 628.5124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=C(OC3=C(C=C(C=C3C2=O)Br)C(=O)O)C4=CC=CC=C4)CC5=NC6=CC=CC=C6C=C5

Isomeric SMILES

C1CN(CCN1CCCOC2=C(OC3=C(C=C(C=C3C2=O)Br)C(=O)O)C4=CC=CC=C4)CC5=NC6=CC=CC=C6C=C5

InChI

InChI=1S/C33H30BrN3O5/c34-24-19-26-29(38)32(30(23-8-2-1-3-9-23)42-31(26)27(20-24)33(39)40)41-18-6-13-36-14-16-37(17-15-36)21-25-12-11-22-7-4-5-10-28(22)35-25/h1-5,7-12,19-20H,6,13-18,21H2,(H,39,40)