N-methyl-4-(3-methyl-2-oxidanylidene-butyl)-3-[8-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide

Systemtic Name: N-methyl-4-(3-methyl-2-oxidanylidene-butyl)-3-[8-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide Openeye Name: N-methyl-4-(3-methyl-2-oxo-butyl)-3-[8-(pyrrolidin-1-ylmethyl)-7-quinolyl]benzamide CAS Name: N-methyl-4-(3-methyl-2-oxobutyl)-3-[8-(1-pyrrolidinylmethyl)-7-quinolinyl]benzamide IUPAC Name: N-methyl-4-(3-methyl-2-oxobutyl)-3-[8-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide Traditional Name: 4-(2-keto-3-methyl-butyl)-N-methyl-3-[8-(pyrrolidinomethyl)-7-quinolyl]benzamide Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)CC1=C(C=C(C=C1)C(=O)NC)C2=C(C3=C(C=CC=N3)C=C2)CN4CCCC4

Isomeric SMILES

CC(C)C(=O)CC1=C(C=C(C=C1)C(=O)NC)C2=C(C3=C(C=CC=N3)C=C2)CN4CCCC4

InChI

InChI=1S/C27H31N3O2/c1-18(2)25(31)16-20-8-9-21(27(32)28-3)15-23(20)22-11-10-19-7-6-12-29-26(19)24(22)17-30-13-4-5-14-30/h6-12,15,18H,4-5,13-14,16-17H2,1-3H3,(H,28,32)