N-[(2S)-1-methoxy-3-phenyl-propan-2-yl]-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide

Systemtic Name: N-[(2S)-1-methoxy-3-phenyl-propan-2-yl]-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-methoxy-ethyl]-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide CAS Name: N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-6-(3-methyl-1-piperazinyl)-3-pyridinecarboxamide IUPAC Name: N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-methoxy-ethyl]-6-(3-methylpiperazino)nicotinamide Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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