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

Systemtic Name: ethyl 6-bromanyl-4-oxidanylidene-2-phenyl-3-[3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]propoxy]chromene-8-carboxylate Openeye Name: ethyl 6-bromo-4-oxo-2-phenyl-3-[3-[4-(2-quinolylmethyl)piperazin-1-yl]propoxy]chromene-8-carboxylate CAS Name: 6-bromo-4-oxo-2-phenyl-3-[3-[4-(2-quinolinylmethyl)-1-piperazinyl]propoxy]-1-benzopyran-8-carboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-oxo-2-phenyl-3-[3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]propoxy]chromene-8-carboxylate Traditional Name: 6-bromo-4-keto-2-phenyl-3-[3-[4-(2-quinolylmethyl)piperazino]propoxy]chromene-8-carboxylic acid ethyl ester Formula: C35H34BrN3O5 MolecularWeight: 656.56556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=CC(=C1)Br)C(=O)C(=C(O2)C3=CC=CC=C3)OCCCN4CCN(CC4)CC5=NC6=CC=CC=C6C=C5

Isomeric SMILES

CCOC(=O)C1=C2C(=CC(=C1)Br)C(=O)C(=C(O2)C3=CC=CC=C3)OCCCN4CCN(CC4)CC5=NC6=CC=CC=C6C=C5

InChI

InChI=1S/C35H34BrN3O5/c1-2-42-35(41)29-22-26(36)21-28-31(40)34(32(44-33(28)29)25-10-4-3-5-11-25)43-20-8-15-38-16-18-39(19-17-38)23-27-14-13-24-9-6-7-12-30(24)37-27/h3-7,9-14,21-22H,2,8,15-20,23H2,1H3