N-[4-[[4-[5-(aminomethyl)-2-oxidanyl-phenyl]carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide

Systemtic Name: N-[4-[[4-[5-(aminomethyl)-2-oxidanyl-phenyl]carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide Openeye Name: N-[4-[[4-[5-(aminomethyl)-2-hydroxy-benzoyl]benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide CAS Name: N-[4-[[[4-[[5-(aminomethyl)-2-hydroxyphenyl]-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide IUPAC Name: N-[4-[[4-[5-(aminomethyl)-2-hydroxybenzoyl]benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide Traditional Name: N-[4-[[4-[5-(aminomethyl)-2-hydroxy-benzoyl]benzoyl]amino]azepan-3-yl]isonicotinamide Formula: C27H29N5O4 MolecularWeight: 487.55026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CNC1)NC(=O)C2=CC=NC=C2)NC(=O)C3=CC=C(C=C3)C(=O)C4=C(C=CC(=C4)CN)O

Isomeric SMILES

C1CC(C(CNC1)NC(=O)C2=CC=NC=C2)NC(=O)C3=CC=C(C=C3)C(=O)C4=C(C=CC(=C4)CN)O

InChI

InChI=1S/C27H29N5O4/c28-15-17-3-8-24(33)21(14-17)25(34)18-4-6-19(7-5-18)26(35)31-22-2-1-11-30-16-23(22)32-27(36)20-9-12-29-13-10-20/h3-10,12-14,22-23,30,33H,1-2,11,15-16,28H2,(H,31,35)(H,32,36)