ethyl 2-[7-chloranyl-6-[(4-phenylpiperazin-1-yl)methyl]-4-pyridin-3-yl-2H-chromen-3-yl]-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 2-[7-chloranyl-6-[(4-phenylpiperazin-1-yl)methyl]-4-pyridin-3-yl-2H-chromen-3-yl]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[7-chloro-6-[(4-phenylpiperazin-1-yl)methyl]-4-(3-pyridyl)-2H-chromen-3-yl]-2-oxo-acetate CAS Name: 2-[7-chloro-6-[(4-phenyl-1-piperazinyl)methyl]-4-(3-pyridinyl)-2H-1-benzopyran-3-yl]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[7-chloro-6-[(4-phenylpiperazin-1-yl)methyl]-4-pyridin-3-yl-2H-chromen-3-yl]-2-oxoacetate Traditional Name: 2-[7-chloro-6-[(4-phenylpiperazino)methyl]-4-(3-pyridyl)-2H-chromen-3-yl]-2-keto-acetic acid ethyl ester Formula: C29H28ClN3O4 MolecularWeight: 518.00332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C1=C(C2=CC(=C(C=C2OC1)Cl)CN3CCN(CC3)C4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

CCOC(=O)C(=O)C1=C(C2=CC(=C(C=C2OC1)Cl)CN3CCN(CC3)C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C29H28ClN3O4/c1-2-36-29(35)28(34)24-19-37-26-16-25(30)21(15-23(26)27(24)20-7-6-10-31-17-20)18-32-11-13-33(14-12-32)22-8-4-3-5-9-22/h3-10,15-17H,2,11-14,18-19H2,1H3