(2-methyl-5-propyl-pyrazol-3-yl)-[7-(pyrrolidin-1-ium-1-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Systemtic Name: (2-methyl-5-propyl-pyrazol-3-yl)-[7-(pyrrolidin-1-ium-1-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: (2-methyl-5-propyl-pyrazol-3-yl)-[7-(pyrrolidin-1-ium-1-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: (2-methyl-5-propyl-3-pyrazolyl)-[7-(1-pyrrolidin-1-iumylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: (2-methyl-5-propylpyrazol-3-yl)-[7-(pyrrolidin-1-ium-1-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Traditional Name: (2-methyl-5-propyl-pyrazol-3-yl)-[7-(pyrrolidin-1-ium-1-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)C(=O)N2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCCC4)C

Isomeric SMILES

CCCC1=NN(C(=C1)C(=O)N2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCCC4)C

InChI

InChI=1S/C22H30N4O2/c1-3-6-19-14-20(24(2)23-19)22(27)26-11-12-28-21-8-7-17(13-18(21)16-26)15-25-9-4-5-10-25/h7-8,13-14H,3-6,9-12,15-16H2,1-2H3/p+1