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

Systemtic Name: N-[(3-chloranyl-1-oxidanyl-4-oxidanylidene-pyridin-2-yl)methyl]-1-(2-methylpropyl)-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: N-[(3-chloro-1-hydroxy-4-oxo-2-pyridyl)methyl]-1-isobutyl-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: N-[(3-chloro-1-hydroxy-4-oxo-2-pyridinyl)methyl]-1-(2-methylpropyl)-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: N-[(3-chloro-1-hydroxy-4-oxopyridin-2-yl)methyl]-1-(2-methylpropyl)-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: N-[(3-chloro-1-hydroxy-4-keto-2-pyridyl)methyl]-1-isobutyl-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C27H28ClN3O3 MolecularWeight: 477.98252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCC(=CC2=CC=CC=C21)C(=O)N(CC3=C(C(=O)C=CN3O)Cl)C4=CC=CC=C4

Isomeric SMILES

CC(C)CN1CCC(=CC2=CC=CC=C21)C(=O)N(CC3=C(C(=O)C=CN3O)Cl)C4=CC=CC=C4

InChI

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