ethyl 4-[[4-(4-methylpiperazin-1-yl)phenyl]amino]benzo[h]quinoline-3-carboxylate

Systemtic Name: ethyl 4-[[4-(4-methylpiperazin-1-yl)phenyl]amino]benzo[h]quinoline-3-carboxylate Openeye Name: ethyl 4-[4-(4-methylpiperazin-1-yl)anilino]benzo[h]quinoline-3-carboxylate CAS Name: 4-[4-(4-methyl-1-piperazinyl)anilino]-3-benzo[h]quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-methylpiperazin-1-yl)anilino]benzo[h]quinoline-3-carboxylate Traditional Name: 4-[4-(4-methylpiperazino)anilino]benzo[h]quinoline-3-carboxylic acid ethyl ester Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1NC3=CC=C(C=C3)N4CCN(CC4)C)C=CC5=CC=CC=C52

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1NC3=CC=C(C=C3)N4CCN(CC4)C)C=CC5=CC=CC=C52

InChI

InChI=1S/C27H28N4O2/c1-3-33-27(32)24-18-28-25-22-7-5-4-6-19(22)8-13-23(25)26(24)29-20-9-11-21(12-10-20)31-16-14-30(2)15-17-31/h4-13,18H,3,14-17H2,1-2H3,(H,28,29)