N-[(2S)-1-methoxy-3-phenyl-propan-2-yl]-2-(3-methylpiperazin-1-yl)pyridine-3-carboxamide

Systemtic Name: N-[(2S)-1-methoxy-3-phenyl-propan-2-yl]-2-(3-methylpiperazin-1-yl)pyridine-3-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-methoxy-ethyl]-2-(3-methylpiperazin-1-yl)pyridine-3-carboxamide CAS Name: N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-(3-methyl-1-piperazinyl)-3-pyridinecarboxamide IUPAC Name: N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-(3-methylpiperazin-1-yl)pyridine-3-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-methoxy-ethyl]-2-(3-methylpiperazino)nicotinamide Formula: C21H28N4O2 MolecularWeight: 368.47262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=CC=N2)C(=O)NC(CC3=CC=CC=C3)COC

Isomeric SMILES

CC1CN(CCN1)C2=C(C=CC=N2)C(=O)N[C@@H](CC3=CC=CC=C3)COC

InChI

InChI=1S/C21H28N4O2/c1-16-14-25(12-11-22-16)20-19(9-6-10-23-20)21(26)24-18(15-27-2)13-17-7-4-3-5-8-17/h3-10,16,18,22H,11-15H2,1-2H3,(H,24,26)/t16?,18-/m0/s1