N-[(5-chloranyl-1-oxidanidyl-pyridin-1-ium-2-yl)-oxidanyl-methyl]-1-(2-methylpropyl)-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide

Systemtic Name: N-[(5-chloranyl-1-oxidanidyl-pyridin-1-ium-2-yl)-oxidanyl-methyl]-1-(2-methylpropyl)-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: N-[(5-chloro-1-oxido-pyridin-1-ium-2-yl)-hydroxy-methyl]-1-isobutyl-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: N-[(5-chloro-1-oxido-2-pyridin-1-iumyl)-hydroxymethyl]-1-(2-methylpropyl)-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: N-[(5-chloro-1-oxidopyridin-1-ium-2-yl)-hydroxymethyl]-1-(2-methylpropyl)-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: N-[(5-chloro-1-oxido-pyridin-1-ium-2-yl)-hydroxy-methyl]-1-isobutyl-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C27H28ClN3O3 MolecularWeight: 477.98252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCC(=CC2=CC=CC=C21)C(=O)N(C3=CC=CC=C3)C(C4=[N+](C=C(C=C4)Cl)[O-])O

Isomeric SMILES

CC(C)CN1CCC(=CC2=CC=CC=C21)C(=O)N(C3=CC=CC=C3)C(C4=[N+](C=C(C=C4)Cl)[O-])O

InChI

InChI=1S/C27H28ClN3O3/c1-19(2)17-29-15-14-21(16-20-8-6-7-11-24(20)29)26(32)31(23-9-4-3-5-10-23)27(33)25-13-12-22(28)18-30(25)34/h3-13,16,18-19,27,33H,14-15,17H2,1-2H3