N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-(pentanoylamino)benzamide

Systemtic Name: N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-(pentanoylamino)benzamide Openeye Name: N-[8-methyl-3-(pyrrolidin-1-ylmethyl)-7-quinolyl]-4-(pentanoylamino)benzamide CAS Name: N-[8-methyl-3-(1-pyrrolidinylmethyl)-7-quinolinyl]-4-(1-oxopentylamino)benzamide IUPAC Name: N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-(pentanoylamino)benzamide Traditional Name: N-[8-methyl-3-(pyrrolidinomethyl)-7-quinolyl]-4-(valerylamino)benzamide Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C3=NC=C(C=C3C=C2)CN4CCCC4)C

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C3=NC=C(C=C3C=C2)CN4CCCC4)C

InChI

InChI=1S/C27H32N4O2/c1-3-4-7-25(32)29-23-11-8-21(9-12-23)27(33)30-24-13-10-22-16-20(17-28-26(22)19(24)2)18-31-14-5-6-15-31/h8-13,16-17H,3-7,14-15,18H2,1-2H3,(H,29,32)(H,30,33)