2-methyl-N-[2-[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]pyrazole-3-carboxamide

Systemtic Name: 2-methyl-N-[2-[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]pyrazole-3-carboxamide Openeye Name: 2-methyl-N-[2-[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]pyrazole-3-carboxamide CAS Name: 2-methyl-N-[2-[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-3-pyrazolecarboxamide IUPAC Name: 2-methyl-N-[2-[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]pyrazole-3-carboxamide Traditional Name: 2-methyl-N-[2-[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]pyrazole-3-carboxamide Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=CC=CC=C2O1)CCNC(=O)C3=CC=NN3C

Isomeric SMILES

C[C@H]1C[NH+](CC2=CC=CC=C2O1)CCNC(=O)C3=CC=NN3C

InChI

InChI=1S/C17H22N4O2/c1-13-11-21(12-14-5-3-4-6-16(14)23-13)10-9-18-17(22)15-7-8-19-20(15)2/h3-8,13H,9-12H2,1-2H3,(H,18,22)/p+1/t13-/m0/s1