N-[2-azanyl-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-2H-benzotriazole-5-carboxamide

Systemtic Name: N-[2-azanyl-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-2H-benzotriazole-5-carboxamide Openeye Name: N-[2-amino-2-[4-(4-pyridylcarbamoyl)phenyl]ethyl]-2H-benzotriazole-5-carboxamide CAS Name: N-[2-amino-2-[4-[oxo-(pyridin-4-ylamino)methyl]phenyl]ethyl]-2H-benzotriazole-5-carboxamide IUPAC Name: N-[2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-2H-benzotriazole-5-carboxamide Traditional Name: N-[2-amino-2-[4-(4-pyridylcarbamoyl)phenyl]ethyl]-2H-benzotriazole-5-carboxamide Formula: C21H19N7O2 MolecularWeight: 401.42126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CNC(=O)C2=CC3=NNN=C3C=C2)N)C(=O)NC4=CC=NC=C4

Isomeric SMILES

C1=CC(=CC=C1C(CNC(=O)C2=CC3=NNN=C3C=C2)N)C(=O)NC4=CC=NC=C4

InChI

InChI=1S/C21H19N7O2/c22-17(12-24-20(29)15-5-6-18-19(11-15)27-28-26-18)13-1-3-14(4-2-13)21(30)25-16-7-9-23-10-8-16/h1-11,17H,12,22H2,(H,24,29)(H,23,25,30)(H,26,27,28)