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

Systemtic Name: 4-(butanoylamino)-N-methyl-3-[8-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide Openeye Name: 4-(butanoylamino)-N-methyl-3-[8-(pyrrolidin-1-ylmethyl)-7-quinolyl]benzamide CAS Name: N-methyl-4-(1-oxobutylamino)-3-[8-(1-pyrrolidinylmethyl)-7-quinolinyl]benzamide IUPAC Name: 4-(butanoylamino)-N-methyl-3-[8-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide Traditional Name: 4-butyramido-N-methyl-3-[8-(pyrrolidinomethyl)-7-quinolyl]benzamide Formula: C26H30N4O2 MolecularWeight: 430.542

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=C(C=C1)C(=O)NC)C2=C(C3=C(C=CC=N3)C=C2)CN4CCCC4

Isomeric SMILES

CCCC(=O)NC1=C(C=C(C=C1)C(=O)NC)C2=C(C3=C(C=CC=N3)C=C2)CN4CCCC4

InChI

InChI=1S/C26H30N4O2/c1-3-7-24(31)29-23-12-10-19(26(32)27-2)16-21(23)20-11-9-18-8-6-13-28-25(18)22(20)17-30-14-4-5-15-30/h6,8-13,16H,3-5,7,14-15,17H2,1-2H3,(H,27,32)(H,29,31)