N,N-diethyl-4-[(S)-piperazin-1-yl-[3-(quinolin-2-ylmethylamino)phenyl]methyl]benzamide

Systemtic Name: N,N-diethyl-4-[(S)-piperazin-1-yl-[3-(quinolin-2-ylmethylamino)phenyl]methyl]benzamide Openeye Name: N,N-diethyl-4-[(S)-piperazin-1-yl-[3-(2-quinolylmethylamino)phenyl]methyl]benzamide CAS Name: N,N-diethyl-4-[(S)-1-piperazinyl-[3-(2-quinolinylmethylamino)phenyl]methyl]benzamide IUPAC Name: N,N-diethyl-4-[(S)-piperazin-1-yl-[3-(quinolin-2-ylmethylamino)phenyl]methyl]benzamide Traditional Name: N,N-diethyl-4-[(S)-piperazino-[3-(2-quinolylmethylamino)phenyl]methyl]benzamide Formula: C32H37N5O MolecularWeight: 507.66908

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC(=CC=C2)NCC3=NC4=CC=CC=C4C=C3)N5CCNCC5

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)[C@@H](C2=CC(=CC=C2)NCC3=NC4=CC=CC=C4C=C3)N5CCNCC5

InChI

InChI=1S/C32H37N5O/c1-3-36(4-2)32(38)26-14-12-25(13-15-26)31(37-20-18-33-19-21-37)27-9-7-10-28(22-27)34-23-29-17-16-24-8-5-6-11-30(24)35-29/h5-17,22,31,33-34H,3-4,18-21,23H2,1-2H3/t31-/m0/s1