ethyl 4-[4-[(4-cyanophenyl)carbamoyl]piperazin-1-yl]-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carboxylate

Systemtic Name: ethyl 4-[4-[(4-cyanophenyl)carbamoyl]piperazin-1-yl]-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carboxylate Openeye Name: ethyl 4-[4-[(4-cyanophenyl)carbamoyl]piperazin-1-yl]-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carboxylate CAS Name: 4-[4-[(4-cyanoanilino)-oxomethyl]-1-piperazinyl]-6-methoxy-7-(2-methoxyethoxy)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-cyanophenyl)carbamoyl]piperazin-1-yl]-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carboxylate Traditional Name: 4-[4-[(4-cyanophenyl)carbamoyl]piperazino]-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carboxylic acid ethyl ester Formula: C28H31N5O6 MolecularWeight: 533.57564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1)OCCOC)OC)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)C#N

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1)OCCOC)OC)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H31N5O6/c1-4-38-27(34)22-18-30-23-16-25(39-14-13-36-2)24(37-3)15-21(23)26(22)32-9-11-33(12-10-32)28(35)31-20-7-5-19(17-29)6-8-20/h5-8,15-16,18H,4,9-14H2,1-3H3,(H,31,35)