N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-2-[(4-propan-2-ylphenyl)amino]quinoline-4-carboxamide

Systemtic Name: N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-2-[(4-propan-2-ylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(4-isopropylanilino)quinoline-4-carboxamide CAS Name: N-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2-(4-propan-2-ylanilino)-4-quinolinecarboxamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(4-propan-2-ylanilino)quinoline-4-carboxamide Traditional Name: N-[2-(4-benzylpiperazino)ethyl]-2-cumidino-cinchoninamide Formula: C32H37N5O MolecularWeight: 507.66908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C32H37N5O/c1-24(2)26-12-14-27(15-13-26)34-31-22-29(28-10-6-7-11-30(28)35-31)32(38)33-16-17-36-18-20-37(21-19-36)23-25-8-4-3-5-9-25/h3-15,22,24H,16-21,23H2,1-2H3,(H,33,38)(H,34,35)