3-bromanyl-N-[1-[(2-phenylazanylpyridin-3-yl)methyl]pyrrolidin-3-yl]benzamide

Systemtic Name: 3-bromanyl-N-[1-[(2-phenylazanylpyridin-3-yl)methyl]pyrrolidin-3-yl]benzamide Openeye Name: N-[1-[(2-anilino-3-pyridyl)methyl]pyrrolidin-3-yl]-3-bromo-benzamide CAS Name: N-[1-[(2-anilino-3-pyridinyl)methyl]-3-pyrrolidinyl]-3-bromobenzamide IUPAC Name: N-[1-[(2-anilinopyridin-3-yl)methyl]pyrrolidin-3-yl]-3-bromobenzamide Traditional Name: N-[1-[(2-anilino-3-pyridyl)methyl]pyrrolidin-3-yl]-3-bromo-benzamide Formula: C23H23BrN4O MolecularWeight: 451.35892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)C2=CC(=CC=C2)Br)CC3=C(N=CC=C3)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CC1NC(=O)C2=CC(=CC=C2)Br)CC3=C(N=CC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C23H23BrN4O/c24-19-8-4-6-17(14-19)23(29)27-21-11-13-28(16-21)15-18-7-5-12-25-22(18)26-20-9-2-1-3-10-20/h1-10,12,14,21H,11,13,15-16H2,(H,25,26)(H,27,29)