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

Systemtic Name: N-[4-[[4-[2-oxidanyl-5-(propan-2-ylamino)phenyl]carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide Openeye Name: N-[4-[[4-[2-hydroxy-5-(isopropylamino)benzoyl]benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide CAS Name: N-[4-[[[4-[[2-hydroxy-5-(propan-2-ylamino)phenyl]-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide IUPAC Name: N-[4-[[4-[2-hydroxy-5-(propan-2-ylamino)benzoyl]benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide Traditional Name: N-[4-[[4-[2-hydroxy-5-(isopropylamino)benzoyl]benzoyl]amino]azepan-3-yl]isonicotinamide Formula: C29H33N5O4 MolecularWeight: 515.60342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=CC(=C(C=C1)O)C(=O)C2=CC=C(C=C2)C(=O)NC3CCCNCC3NC(=O)C4=CC=NC=C4

Isomeric SMILES

CC(C)NC1=CC(=C(C=C1)O)C(=O)C2=CC=C(C=C2)C(=O)NC3CCCNCC3NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C29H33N5O4/c1-18(2)32-22-9-10-26(35)23(16-22)27(36)19-5-7-20(8-6-19)28(37)33-24-4-3-13-31-17-25(24)34-29(38)21-11-14-30-15-12-21/h5-12,14-16,18,24-25,31-32,35H,3-4,13,17H2,1-2H3,(H,33,37)(H,34,38)