4-bromanyl-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-3-oxidanyl-5-(2-pyridin-3-ylethoxy)benzamide

Systemtic Name: 4-bromanyl-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-3-oxidanyl-5-(2-pyridin-3-ylethoxy)benzamide Openeye Name: 4-bromo-N-[(1-carbamimidoyl-4-piperidyl)methyl]-3-hydroxy-5-[2-(3-pyridyl)ethoxy]benzamide CAS Name: 4-bromo-N-[(1-carbamimidoyl-4-piperidinyl)methyl]-3-hydroxy-5-[2-(3-pyridinyl)ethoxy]benzamide IUPAC Name: 4-bromo-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-3-hydroxy-5-(2-pyridin-3-ylethoxy)benzamide Traditional Name: N-[(1-amidino-4-piperidyl)methyl]-4-bromo-3-hydroxy-5-[2-(3-pyridyl)ethoxy]benzamide Formula: C21H26BrN5O3 MolecularWeight: 476.36684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC(=O)C2=CC(=C(C(=C2)OCCC3=CN=CC=C3)Br)O)C(=N)N

Isomeric SMILES

C1CN(CCC1CNC(=O)C2=CC(=C(C(=C2)OCCC3=CN=CC=C3)Br)O)C(=N)N

InChI

InChI=1S/C21H26BrN5O3/c22-19-17(28)10-16(11-18(19)30-9-5-14-2-1-6-25-12-14)20(29)26-13-15-3-7-27(8-4-15)21(23)24/h1-2,6,10-12,15,28H,3-5,7-9,13H2,(H3,23,24)(H,26,29)