4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide

Systemtic Name: 4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide Openeye Name: 4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)-7-quinolyl]benzamide CAS Name: 4-(4-methoxyphenyl)-N-[3-(1-pyrrolidinylmethyl)-7-quinolinyl]benzamide IUPAC Name: 4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide Traditional Name: 4-(4-methoxyphenyl)-N-[3-(pyrrolidinomethyl)-7-quinolyl]benzamide Formula: C28H27N3O2 MolecularWeight: 437.53288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC4=NC=C(C=C4C=C3)CN5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC4=NC=C(C=C4C=C3)CN5CCCC5

InChI

InChI=1S/C28H27N3O2/c1-33-26-12-9-22(10-13-26)21-4-6-23(7-5-21)28(32)30-25-11-8-24-16-20(18-29-27(24)17-25)19-31-14-2-3-15-31/h4-13,16-18H,2-3,14-15,19H2,1H3,(H,30,32)