2-(4-oxidanylidene-3H-phthalazin-1-yl)-N-[2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]propanamide

Systemtic Name: 2-(4-oxidanylidene-3H-phthalazin-1-yl)-N-[2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]propanamide Openeye Name: 2-(4-oxo-3H-phthalazin-1-yl)-N-[2-[2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]propanamide CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)-N-[2-[2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]propanamide IUPAC Name: 2-(4-oxo-3H-phthalazin-1-yl)-N-[2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]propanamide Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)-N-[2-[2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]propionamide Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NNC(=O)C2=CC=CC=C21)C(=O)NCCN3CC(OC4=CC=CC=C4C3)C5=CSC=C5

Isomeric SMILES

CC(C1=NNC(=O)C2=CC=CC=C21)C(=O)NCCN3CC(OC4=CC=CC=C4C3)C5=CSC=C5

InChI

InChI=1S/C26H26N4O3S/c1-17(24-20-7-3-4-8-21(20)26(32)29-28-24)25(31)27-11-12-30-14-18-6-2-5-9-22(18)33-23(15-30)19-10-13-34-16-19/h2-10,13,16-17,23H,11-12,14-15H2,1H3,(H,27,31)(H,29,32)