4-(4-methylphenyl)-3-(pyrrolidin-1-ylmethyl)-N-quinolin-6-yl-benzamide

Systemtic Name: 4-(4-methylphenyl)-3-(pyrrolidin-1-ylmethyl)-N-quinolin-6-yl-benzamide Openeye Name: 4-(p-tolyl)-3-(pyrrolidin-1-ylmethyl)-N-(6-quinolyl)benzamide CAS Name: 4-(4-methylphenyl)-3-(1-pyrrolidinylmethyl)-N-(6-quinolinyl)benzamide IUPAC Name: 4-(4-methylphenyl)-3-(pyrrolidin-1-ylmethyl)-N-quinolin-6-ylbenzamide Traditional Name: 4-(p-tolyl)-3-(pyrrolidinomethyl)-N-(6-quinolyl)benzamide Formula: C28H27N3O MolecularWeight: 421.53348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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