N-(3-bromanyl-4-pyrrolidin-1-ylcarbonyl-phenyl)-2-(3-carbamimidoylphenyl)-3-pyridin-4-yl-propanamide

Systemtic Name: N-(3-bromanyl-4-pyrrolidin-1-ylcarbonyl-phenyl)-2-(3-carbamimidoylphenyl)-3-pyridin-4-yl-propanamide Openeye Name: N-[3-bromo-4-(pyrrolidine-1-carbonyl)phenyl]-2-(3-carbamimidoylphenyl)-3-(4-pyridyl)propanamide CAS Name: N-[3-bromo-4-[oxo(1-pyrrolidinyl)methyl]phenyl]-2-(3-carbamimidoylphenyl)-3-pyridin-4-ylpropanamide IUPAC Name: N-[3-bromo-4-(pyrrolidine-1-carbonyl)phenyl]-2-(3-carbamimidoylphenyl)-3-pyridin-4-ylpropanamide Traditional Name: 2-(3-amidinophenyl)-N-[3-bromo-4-(pyrrolidine-1-carbonyl)phenyl]-3-(4-pyridyl)propionamide Formula: C26H26BrN5O2 MolecularWeight: 520.42094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=C(C=C(C=C2)NC(=O)C(CC3=CC=NC=C3)C4=CC=CC(=C4)C(=N)N)Br

Isomeric SMILES

C1CCN(C1)C(=O)C2=C(C=C(C=C2)NC(=O)C(CC3=CC=NC=C3)C4=CC=CC(=C4)C(=N)N)Br

InChI

InChI=1S/C26H26BrN5O2/c27-23-16-20(6-7-21(23)26(34)32-12-1-2-13-32)31-25(33)22(14-17-8-10-30-11-9-17)18-4-3-5-19(15-18)24(28)29/h3-11,15-16,22H,1-2,12-14H2,(H3,28,29)(H,31,33)