N-[2-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-1-methyl-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-[2-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-1-methyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-[2-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-1-methyl-4-oxo-quinoline-3-carboxamide CAS Name: N-[2-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-1-methyl-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[2-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-1-methyl-4-oxoquinoline-3-carboxamide Traditional Name: N-[2-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-4-keto-1-methyl-quinoline-3-carboxamide Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CC2=CC=CC=C2O1)CCNC(=O)C3=CN(C4=CC=CC=C4C3=O)C

Isomeric SMILES

CCCC[C@H]1CN(CC2=CC=CC=C2O1)CCNC(=O)C3=CN(C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C26H31N3O3/c1-3-4-10-20-17-29(16-19-9-5-8-13-24(19)32-20)15-14-27-26(31)22-18-28(2)23-12-7-6-11-21(23)25(22)30/h5-9,11-13,18,20H,3-4,10,14-17H2,1-2H3,(H,27,31)/t20-/m0/s1