N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-2-methyl-5-propan-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-2-methyl-5-propan-2-yl-pyrazole-3-carboxamide Openeye Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-5-isopropyl-2-methyl-pyrazole-3-carboxamide CAS Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-2-methyl-5-propan-2-yl-3-pyrazolecarboxamide IUPAC Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-2-methyl-5-propan-2-ylpyrazole-3-carboxamide Traditional Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-5-isopropyl-2-methyl-pyrazole-3-carboxamide Formula: C22H33N4O3+ MolecularWeight: 401.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CC2=C(O1)C=CC(=C2)OC)CCNC(=O)C3=CC(=NN3C)C(C)C

Isomeric SMILES

CC[C@H]1C[NH+](CC2=C(O1)C=CC(=C2)OC)CCNC(=O)C3=CC(=NN3C)C(C)C

InChI

InChI=1S/C22H32N4O3/c1-6-17-14-26(13-16-11-18(28-5)7-8-21(16)29-17)10-9-23-22(27)20-12-19(15(2)3)24-25(20)4/h7-8,11-12,15,17H,6,9-10,13-14H2,1-5H3,(H,23,27)/p+1/t17-/m0/s1