4-(4-methylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]benzamide

Systemtic Name: 4-(4-methylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]benzamide Openeye Name: 4-(p-tolyl)-N-[2-(pyrrolidin-1-ylmethyl)-6-quinolyl]benzamide CAS Name: 4-(4-methylphenyl)-N-[2-(1-pyrrolidinylmethyl)-6-quinolinyl]benzamide IUPAC Name: 4-(4-methylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]benzamide Traditional Name: 4-(p-tolyl)-N-[2-(pyrrolidinomethyl)-6-quinolyl]benzamide Formula: C28H27N3O MolecularWeight: 421.53348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=C(C=C4)CN5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=C(C=C4)CN5CCCC5

InChI

InChI=1S/C28H27N3O/c1-20-4-6-21(7-5-20)22-8-10-23(11-9-22)28(32)30-25-14-15-27-24(18-25)12-13-26(29-27)19-31-16-2-3-17-31/h4-15,18H,2-3,16-17,19H2,1H3,(H,30,32)