3-methyl-N-[(2S)-4-methyl-1-oxidanylidene-1-[[3-oxidanylidene-1-(quinolin-2-ylmethyl)azepan-4-yl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 3-methyl-N-[(2S)-4-methyl-1-oxidanylidene-1-[[3-oxidanylidene-1-(quinolin-2-ylmethyl)azepan-4-yl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: 3-methyl-N-[(1S)-3-methyl-1-[[3-oxo-1-(2-quinolylmethyl)azepan-4-yl]carbamoyl]butyl]benzofuran-2-carboxamide CAS Name: 3-methyl-N-[(2S)-4-methyl-1-oxo-1-[[3-oxo-1-(2-quinolinylmethyl)-4-azepanyl]amino]pentan-2-yl]-2-benzofurancarboxamide IUPAC Name: 3-methyl-N-[(2S)-4-methyl-1-oxo-1-[[3-oxo-1-(quinolin-2-ylmethyl)azepan-4-yl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[(1S)-1-[[3-keto-1-(2-quinolylmethyl)azepan-4-yl]carbamoyl]-3-methyl-butyl]-3-methyl-coumarilamide Formula: C32H36N4O4 MolecularWeight: 540.65264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC(CC(C)C)C(=O)NC3CCCN(CC3=O)CC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)N[C@@H](CC(C)C)C(=O)NC3CCCN(CC3=O)CC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C32H36N4O4/c1-20(2)17-27(35-32(39)30-21(3)24-10-5-7-13-29(24)40-30)31(38)34-26-12-8-16-36(19-28(26)37)18-23-15-14-22-9-4-6-11-25(22)33-23/h4-7,9-11,13-15,20,26-27H,8,12,16-19H2,1-3H3,(H,34,38)(H,35,39)/t26?,27-/m0/s1