ethyl-[[4-(3-phenylpropanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: ethyl-[[4-(3-phenylpropanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[[4-(3-phenylpropanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[[4-(1-oxo-3-phenylpropyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[[4-(3-phenylpropanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: ethyl-[(4-hydrocinnamoyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]-(4-pyridylmethyl)ammonium Formula: C27H32N3O2+ MolecularWeight: 430.56188

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O2/c1-2-29(19-23-12-14-28-15-13-23)20-24-8-10-26-25(18-24)21-30(16-17-32-26)27(31)11-9-22-6-4-3-5-7-22/h3-8,10,12-15,18H,2,9,11,16-17,19-21H2,1H3/p+1