N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-4-[(quinolin-3-ylmethylamino)methyl]benzamide

Systemtic Name: N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-4-[(quinolin-3-ylmethylamino)methyl]benzamide Openeye Name: N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-4-[(3-quinolylmethylamino)methyl]benzamide CAS Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[(3-quinolinylmethylamino)methyl]benzamide IUPAC Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[(quinolin-3-ylmethylamino)methyl]benzamide Traditional Name: N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-4-[(3-quinolylmethylamino)methyl]benzamide Formula: C27H26N4O2 MolecularWeight: 438.52094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N)NC(=O)C2=CC=C(C=C2)CNCC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)C2=CC=C(C=C2)CNCC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C27H26N4O2/c28-26(32)25(15-19-6-2-1-3-7-19)31-27(33)22-12-10-20(11-13-22)16-29-17-21-14-23-8-4-5-9-24(23)30-18-21/h1-14,18,25,29H,15-17H2,(H2,28,32)(H,31,33)/t25-/m0/s1