1-[4-[7-chloranyl-3-[(2-phenylpropylamino)methyl]quinolin-2-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[7-chloranyl-3-[(2-phenylpropylamino)methyl]quinolin-2-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[7-chloro-3-[(2-phenylpropylamino)methyl]-2-quinolyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[7-chloro-3-[(2-phenylpropylamino)methyl]-2-quinolinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[7-chloro-3-[(2-phenylpropylamino)methyl]quinolin-2-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[7-chloro-3-[(2-phenylpropylamino)methyl]-2-quinolyl]piperazino]ethanone Formula: C25H29ClN4O MolecularWeight: 436.97696

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCC1=C(N=C2C=C(C=CC2=C1)Cl)N3CCN(CC3)C(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC(CNCC1=C(N=C2C=C(C=CC2=C1)Cl)N3CCN(CC3)C(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C25H29ClN4O/c1-18(20-6-4-3-5-7-20)16-27-17-22-14-21-8-9-23(26)15-24(21)28-25(22)30-12-10-29(11-13-30)19(2)31/h3-9,14-15,18,27H,10-13,16-17H2,1-2H3