3-azanyl-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-[[4-(indolin-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide CAS Name: 3-amino-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-[4-(indolin-1-ylmethyl)benzyl]pyrazinamide Formula: C21H21N5O MolecularWeight: 359.42434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)CC3=CC=C(C=C3)CNC(=O)C4=NC=CN=C4N

Isomeric SMILES

C1CN(C2=CC=CC=C21)CC3=CC=C(C=C3)CNC(=O)C4=NC=CN=C4N

InChI

InChI=1S/C21H21N5O/c22-20-19(23-10-11-24-20)21(27)25-13-15-5-7-16(8-6-15)14-26-12-9-17-3-1-2-4-18(17)26/h1-8,10-11H,9,12-14H2,(H2,22,24)(H,25,27)